PUBLICATION
Guo-Wei Wei
PAPERS
(318) Kelin Xia and Guo-Wei Wei, A review of geometric, topological and graph theory apparatuses for the modeling and analysis of biomolecular data (2016) arXiv:1612.01735.
(317) Duc Nguyen, Kaifu Gao, Jiahui Chen, Rui
Wang, and Guo-Wei Wei, Potentially highly potent drugs for 2019-nCoV, (2020).
(316) Kaifu Gao, Duc Nguyen, Rui Wang and Guo-Wei Wei, Machine intelligence design of 2019-nCoV drugs, (2020).
(315) Jiahui Chen, Rui Wang and Guo-Wei Wei, Review of the mechanisms of SARS-CoV-2 evolution and transmission, Chemical Science (2022).
(314) Sean Cottrell, Rui Wang, and Guo-Wei Wei, PLPCA: Persistent Laplacian-enhanced PCA for Microarray Data Analysis, (2023).
(313) Sheik Ahmed Ullah, Xin Yang, Ben Jones, Shan Zhao, Weihua Geng, and Guo-Wei Wei, Bridging Eulerian and Lagrangian Poisson-Boltzmann solvers by ESES, Journal of Computational Chemistry, (2023).
(312) Gokul Bhusal, PEkaterina Merkurjev, and Guo-Wei Wei, Persistent Laplacian-enhanced Algorithm for Scarcely Labeled Data Classification, Journal of Intelligent Information Systems, (2023).
(311) Jiahui Chen, Daniel R. Woldring, Faqing Huang, Xuefei Huang, and Guo-Wei Wei, Topological deep learning based deep mutational scanning, Computers in Biology and Medicine, (2023).
(310) Yuta Hozumi, Kiyoto, Tanemura, and Guo-Wei Wei, Preprocessing of single cell RNA sequencing data using Correlated Clustering and Projection, Journal of Chemical Information and Modeling (2023).
(309) Dong Chen, Jian Liu, Jie Wu, and Guo-Wei Wei,
Persistent hyperdigraph homology and persistent hyperdigraph Laplacians (2023).
(308) Saumya Nigam, Jeotikanta Mohapatra,
Ashley V. Makela, Jessi Mercedes Rodriguez, Aixia Sun, Hanaan Hayat, Elizabeth
Kenyon, Nathan A. Redman, George Jabin, Bin Gu, Mohamed Ashry, Lorenzo F.
Sempere, Jiahui Chen, Guo-Wei Wei, Steven Bolin, Brett Etchebarne, J. Ping Liu,
Christopher H. Contag, and Ping Wang,
Shape anisotropy-governed high performance nanotracer for in vivo lung
magnetic particle imaging, Nature Materials (2023).
(307) Xiaoqi Wei and Guo-Wei Wei, Persistent sheaf Laplacians, Journal of Applied and Computational Topology, (2021).
(306) Bozheng Dou, Zailiang Zhu, Ekaterina Merkurjev, Lu Ke, Long Chen, Jian Jiang, Yueying Zhu, Jie Liu, Bengong Zhang, and Guo-Wei Wei, A Review of Machine Learning Strategies for Small Data Challenge in Molecular Science, Chemical Reviews, Accepted (2022).
(305) Yuta Hozumi, Rui Wang, Guo-Wei Wei, CCP: Correlated Clustering and Projection for Dimensionality Reduction, IEEE Transactions on Pattern Analysis and Machine Intelligence, (2022).
(304) Emily Ribando-Gros, Rui Wang, Jiahui Chen, Yiying Tong, and Guo-Wei Wei, Graph and Hodge Laplacians: Similarity and difference, SIAM Review, revision submitted (2022).
(303) Hongsong Feng, Jian Jiang, and Guo-Wei
Wei,
Machine-learning Repurposing of DrugBank Compounds for Opioid Use
Disorder, Computers in Biology and Medicine, 160, 106921 (2023).
(302) Li Shen, Hongsong Feng, Yuchi Qiu and Guo-Wei Wei, SVSBI: Sequence-based virtual screening of biomolecular interactions, Communications Biology, 6, 536, (2023).
(301) Dong Chen, Jian Liu, Jie Wu, Guo-Wei Wei, Feng Pan, and Shing-Tung Yau, Path topology in molecular and materials sciences, The Journal of Physical Chemistry Letters, 14, 954-964, (2023).
(300) Hongsong Feng, Rana Elladki, Jian Jiang, and Guo-Wei Wei, Machine-learning Analysis of Opioid Use Disorder Informed by MOR, DOR, KOR, NOR and ZOR-Based Interactome Networks, Computers in Biology and Medicine, 157, 106745 (2023).
(299) Ping Wang; Hasaan Hayat; Rui Wang; Aixia Sun; Christiane L. Mallett; Saumya Nigam; Nathan Redman; Demarcus Bunn; Elvira Gjelaj; Nazanin Talebloo; Adam Alessio; Anna Moore; Kurt Zinn; Guo-Wei Wei; Jinda Fan, Automated segmentation and quantification of simultaneous PET/MRI for monitoring cell transplantation with deep learning , iScience, accepted (2023).
(298) Zailiang Zhu, Bozheng Dou,Yukang Cao, Jian Jiang, Yueying Zhu, Dong Chen, Hongsong Feng, Jie Liu, Bengong Zhang, Tianshou Zhou, Guo-Wei Wei, TIDAL: Topology-Inferred Drug Addiction Learning, Journal of Chemical Information and Modeling, 63, 5, 1472–1489 (2023).
(297) Xiaoqi Wei, Jiehui Chen and Guo-Wei Wei, Persistent topological Laplacian analysis of SARS-Cov-2 variants, Journal of Computational Biophysics and Chemistry, accepted (2023).
(296) Yao Zhang, Kaifu Gao, Dexin Sui, Tuo Zhang, Peixuan Yu, Yuhan Jiang, Min Su, Guo-Wei Wei, Jian Hu, Structural insights into the elevator-type transport mechanism of a bacterial ZIP metal transporter, Nature Communication, 14(1), 385 (2023).
(295) Hongsong Feng and Guo-Wei Wei, Virtual screening of DrugBank database for hERG blockers using topological Laplacian-assisted AI models, Computers in Biology and Medicine, 153, 106491 (2023).
(294) Yuchi Qiu and Guo-Wei Wei, Persistent spectral theory-guided protein engineering, Nature Computational Science, 3, 149-163 (2023).
(293) Jiahui Chen, Rui Wang, Yuta Hozumi, Gengzhuo Liu, Yuchi Qiu, Xiaoqi Wei and Guo-Wei Wei, Emerging dominant SARS-CoV-2 variants, Journal of Chemical Information and Modeling, 63, 335–342, (2023).
(292) Nicole Hayes, Ekaterina Merkurjev, and Guo-Wei Wei, Integrating Transformer and Autoencoder Techniques with Spectral Graph Algorithms for the Prediction of Scarcely Labeled Molecular Data, Computers in Biology and Medicine, 153, 106479 (2023).
(291) Ekaterina Merkurjev, Duc Duy Nguyen, and Guo-Wei Wei, Multiscale Laplacian Learning, Applied Intelligence, Multiscale laplacian learning | SpringerLink (2022).
(290) Rui Wang and Guo-Wei Wei, Persistent path Laplacian, Foundations of Data Science, 5, 26-55, (2023).
(289) Jiahui Chen, Yuchi Qiu, Rui Wang and Guo-Wei Wei, Persistent Laplacian projected Omicron BA.4 and BA.5 to become new dominating variants, Computers in Biology and Medicine, 151, 106262, (2022).
(288) Yuchi Qiu and Guo-Wei Wei, CLADE 2.0: Evolution-driven cluster learning-assisted directed evolution, Journal of Chemical Information and Modeling, 62, 19, 4629–4641 (2022).
(287) Jian Liu, Kelin Xia, Jie Wu, Stephen Yau, and Guo-Wei Wei, Biomolecular Topology: modelling and data analysis. Acta Mathematica Sinica, English Series, 38, 1901-1938 (2022).
(286) Jiahui Chen and Guo-Wei Wei, Artificial intelligence design of mutation-proof COVID-19 antibody therapies, Communications in Information and Systems, 22 (3), 339-361 (2022).
(285) Jiahui Chen and Guo-Wei Wei, Omicron BA.2 (B.1.1.529.2): High potential to becoming the next dominating variant, The Journal of Physical Chemistry Letters, 13, 3840-3849 (2022).
(284) Azzam Alfarraj and Guo-Wei Wei, Geometric algebra generation of molecular surfaces, Journal of the Royal Society Interface, 19 (189), 20220117 (2022).
(283) Kaifu Gao, Rui Wang, Jiahui Chen, Limei Cheng, Jaclyn Frishcosy, Yuta Huzumi, Yuchi Qiu, Tom Schluckbier, Xiaoqi Wei, and Guo-Wei Wei, Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2, Chemical Reviews, 122, 13, 11287–11368 (2022).
(282) Hongsong Feng, Kaifu Gao, Dong Chen, Li Shen, Alfred J Robison, Edmund Ellsworth and Guo-Wei Wei, Machine learning analysis of cocaine addiction informed by DAT, SERT, and NET-based interactome networks, Journal of Chemical Theory and Computation, 18(4), 2703–2719 (2022).
(281) J Grbić, Jie Wu, Kelin Xia, and Guo-Wei Wei, Aspects of topological approaches for data science, Foundation of Data Science, 4(2), 165-216 (2022).
(280) Rui Wang, Jiahui Chen, Yuta Hozumi, Changchuan Yin, and Guo-Wei Wei, Emerging vaccine-breakthrough SARS-CoV-2 variants, ACS Infectious Diseases, 8, 3, 546–556 (2022).
(278) Limei Cheng, Yuchi Qiu, Brian J. Schmidt, and Guo-Wei Wei, Review of applications and challenges of quantitative systems pharmacology modeling and machine learning for heart failure, Journal of Pharmacokinetics and Pharmacodynamics, 49, 39-50, (2021).
(277) Yuchi Qiu, Jian Hu, Guo-Wei Wei, Cluster learning-assisted directed evolution, Nature Computational Science, 1(12), 809-818 (2021).
(276) Kaifu Gao, Rui Wang, Jiahui Chen, Jetze Tepe, Faqing Huang, and Guo-Wei Wei, Perspectives of SARS-CoV-2 main protease inhibitors, Journal of Medicinal Chemistry, 64, 16922-16955 (2021).
(275) Dong Chen, Jiaxin Zheng,
Guo-Wei Wei, and Feng Pan, Extracting Predictive Representations from Hundreds
of Millions of Molecules, The Journal of Physical Chemistry Letters, 12, 10793-10801 (2021).
(274) Kaifu Gao, Dong Chen, Alfred
J. Robison, and Guo-Wei Wei, Proteome-informed machine learning studies of
cocaine addiction, The Journal of Physical Chemistry Letters, 12, 11122-11134 (2021).
(273) Jiahui Chen, Weihua Geng, and Guo-Wei Wei, MLIMC: Machine learning-based implicit-solvent Monte Carlo, Chinese Journal of Chemical Physics, 34(6) 683-694 (2021).
(272) Rui Wang, Jiahui Chen, and Guo-Wei Wei, Mechanisms of SARS-CoV-2 evolution revealing vaccine-resistant mutations in Europe and America, The Journal of Physical Chemistry Letters, 12, 11850-11857 (2021).
(271) Qing Zhu, Yuzhe Du, Yoshiko Nomura, Rong Gao, Zixuan Cang, Guo-Wei Wei, Dalia Gordon, Michael Gurevitz, James Groome and Ke Dong, The voltage-sensing module of domain III in an insect sodium channel modulates the action of both α and β toxins, Insect Biochemistry and Molecular Biology, 137, 103625 (2021).
(270) Xiaoqi Wei and Guo-Wei Wei, Homotopy continuation for the spectra of persistent Laplacians, Foundations of Data Science, 3(4) 677-700 (2021).
(269) Jiahui Chen, Kaifu Gao, Rui Wang, and Guo-Wei Wei, Revealing the threat of emerging SARS-CoV-2 mutations to antibody therapies, Journal of Molecular Biology, 433, 167155 (2021).
(268) Rui Wang, Kaifu Gao,
Jiahui Chen, and Guo-Wei Wei, Vaccine-escape and fast-growing mutations in the United
Kingdom, the United States, Singapore, Spain, South Africa, and other
COVID-19-devastated countries, Genomics, 11, 2158-2170 (2021).
(267) Dong Chen, Kaifu Gao, Duc D
Nguyen, Yi Jiang, Guo-Wei Wei, and Feng Pan, Algebraic Graph-assisted
Bidirectional Transformers for Molecular Prediction, Nature Communications, 12,
3527 (2021).
(266) Timothy Szocinski;
Duc D Nguyen; Guo-Wei Wei, AweGNN: Auto-parametrized weighted
element-specific graph neural networks, Computers in
Biology and Medicine, 134, 104460 (2021).
(265)
Jiahui Chen, Kaifu Gao, Rui Wang, and Guo-Wei Wei, Prediction and mitigation of
mutation threats to COVID-19 vaccines and antibody therapies, Chemical Science,
12, 6929 - 6948 (2021).
(264) Rui Wang, Rundong Zhao, Emily Ribando-Gros, Jiahui Chen, Yiying Tong, and Guo-Wei Wei, HERMES: Persistent spectral graph software, Foundations of Data Science, 3, 67-97 (2021).
(263) Yuta Hozumi, Rui Wang, Changchuan Yin, and Guo-Wei Wei, UMAP-assisted K-means clustering of large-scale SARS-CoV-2 mutation datasets, Computers in Biology and Medicine, 131, 104264 (2021).
(262) Jasiel O. Strubbe-Rivera, Jiahui Chen, Benjamin A. West, Kristin N. Parent, Guo-Wei Wei, Jason N. Bazil, Modeling the effects of calcium overload on mitochondrial ultrastructural remodeling, Applied Sciences, 11, 2071 (2021).
(261) Jian Jiang, Rui Wang and Guo-Wei Wei, GGL-Tox: Geometric graph learning for toxicity prediction, Journal of Chemical Information and Modeling, 61, 1691-1700 (2021).
(260) Rui Wang, Jiahui Chen, Kaifu Gao, Yuta Hozumi, Changchuan Yin, and Guo-Wei Wei, Analysis of SARS-CoV-2 mutations in the United States suggests presence of four substrains and novel variants, Communications Biology, 4, 228 (2021).
(259) Yi Jiang, Dong Chen, Xin Chen,
Guo-Wei Wei
and Feng Pan, Topological representations of crystalline compounds for
the machine-learning prediction of materials properties, npj Computational
Materials, 7(1) 1-8 (2021).
(258) Jiahui Chen, Rui Wang, and Guo-Wei Wei, SARS-CoV-2 becoming more infectious as revealed by algebraic topology and deep learning, Communications in Information and Systems, 21(1), 31-36 (2021).
(257) Jiahui Chen, Kaifu Gao, Rui Wang, Duc Nguyen, and Guo-Wei Wei, Review of COVID-19 antibody therapies, Annual Review of Biophysics, 50, 1-30 (2021). doi.org/10.1146/annurev-biophys-062920-063711
(256) Jiahui Chen, Rundong Zhao, Yiying Tong and Guo-Wei Wei, Evolutionary de Rham-Hodge method, Discrete and Continuous Dynamical Systems Series B, 26, 3785-3821 (2021).
(255) KM Merz Jr, G De
Fabritiis, and GW Wei, Generative models for molecular design, Journal of
Chemical Information and Modeling 60 (12), 5635-5636 (2020).
(254) Rui Wang, Jiahui Chen, Yuta Hozumi, Changchuan Yin,
and Guo-Wei Wei, Decoding Asymptomatic COVID-19 infection and transmission, The
Journal of Physical Chemistry Letters, 11,
10007-10015 (2020).
(253) Duc Duy Nguyen, Kaifu Gao, Jiahui Chen, Rui Wang, and Guo-Wei Wei, Unveiling the molecular mechanism of SARS-CoV-2 main protease inhibition from 137 crystal structures using algebraic topology and deep learning, Chemical Sciences, 11, 12036 - 12046 (2020).
(252) Rui Wang, Yuta Hozumi, Yong-Hui Zheng, Changchuan Yin, and Guo-Wei Wei, Host immune response driving SARS-CoV-2 evolution, Viruses, 12, 1095 (2020).
(251) Rui Wang, Yuta Hozumi, Changchuan Yin, Guo-Wei Wei, Mutations on COVID-19 diagnostic targets, Genomics, 112, 5204-5213 (2020).
(250) Zixuan Cang, Elizabeth Munch, and Guo-Wei Wei, Evolutionary homology on coupled dynamical systems with applications to protein flexibility analysis, Journal of Applied and Computational Topology, 4, 481-507 (2020).
(249) Kaifu Gao, Duc Nguyen, Meihua Tu, and Guo-Wei Wei, Generative network complex for the automated generation of druglike molecules, Journal of Chemical Information and Modeling, 60 5682-5698 (2020).
(248) Ruiqiong Guo, Zixuan Cang,
Jiaqi Yao, Erin Deans, Guo-Wei Wei, Seung-gu Kang, and Heedeok Hong, How critical are structural cavities to stability and function of a
membrane protein? Proceedings of the National
Academy of Sciences, 117 (36), 22146-22156 (2020).
(247) Rundong Zhao, Menglun Wang, Jiahui Chen, Yiying Tong and Guo-Wei Wei, The de Rham-Hodge analysis and modeling of biomolecules, Bulletin of Mathematical Biology, 82, 1-38 (2020).
(246) Jiahui Chen, Rui Wang, Menglun Wang, and Guo-Wei Wei, Mutations strengthened SARS-CoV-2 infectivity, Journal of Molecular Biology, 432, 5212-5226 (2020).
(245) K Gao, DD Nguyen, J Chen, R Wang, GW Wei, Repositioning of 8565 existing drugs for COVID-19. The Journal of Physical Chemistry Letters, 11, 13, 5373–5382 (2020).
(244) Rui Wang, Yuta Hozumi, Changchuan Yin, and Guo-Wei Wei, Decoding SARS-CoV-2 transmission, evolution and ramification on COVID-19 diagnosis, vaccine, and medicine, Journal of Chemical Information and Modeling, 60, 5853-5865 (2020).
(243) Rui Wang, Duc D Nguyen and Guo-Wei Wei, Persistent
spectral graph, International Journal for Numerical Methods in
Biomedical Engineering, 36(9), e3376 (2020).
(242) Duc D. Nguyen and Guo-Wei Wei, Math and AI-based Repositioning of Existing Drugs for COVID-19, SIAM News, 53(4) (2020) https://sinews.siam.org/Details-Page/math-and-ai-based-repositioning-of-existing-drugs-for-covid-19
(241) Xin Chen, Dong Chen, Mouyi Weng, Yi, Jiang, Guo-Wei Wei and Feng Pan, Topology-Based Machine Learning Strategy for Cluster Structure Prediction, The Journal of Physical Chemistry Letters, 11, 11, 4392–4401 (2020).
(240) Zixuan Cang and Guo-Wei
Wei, Persistent cohomology for datasets with heterogeneous information, SIAM Journal on Mathematics of Data Science, 2
(2), 396-418 (2020).
(239) Kaifu Gao, Duc Duy Nguyen, Vishnu Sresht, Alan M. Mathiowetz, Meihua Tu, and Guo-Wei Wei, Are 2D fingerprints still valuable for drug discovery? Physical Chemistry Chemical Physics, 2 (16), 8373-8390 (2020).
(238) Jian Jiang, Rui Wang, Menglun Wang, Kaifu Gao, Duc D Nguyen and Guo-Wei Wei, Boosting tree-assisted multitask deep learning for small scientific datasets. Journal of Chemical Information and Modeling, 60 (3), 1235-1244 (2020).
(237) David Bramer and Guo-Wei
Wei, Atom-specific persistent homology and its application to protein
flexibility analysis, Computational and Mathematical Biophysics,
8, 1-35 (2020).
(236) Duc Nguyen, Zixuan Cang, and Guo-Wei Wei, A review
of mathematical representations of biomolecular data, Physical
Chemistry Chemical Physics, 22, 4343-4367 (2020).
(235)
Menglun Wang, Z. X. Cang, and Guo-Wei
Wei, A
topology-based network tree for the prediction of protein-protein binding free
energy changes following mutation, Nature Machine Intelligence, 2, 116-123 (2020).
(234) Duc Duy Nguyen, Kaifu Gao, Menglun Wang, and Guo-Wei Wei, MathDL: Mathematical deep learning for D3R Grand Challenge 4, Journal of Computer Aided Molecular Design, 34, 131-147 (2020).
(233)
Limei Cheng, Guo-Wei Wei and Tarek Leil, Review of quantitative
systems pharmacological modeling of thrombosis, Communications in
Information and Systems, 19, 219-240 (2019).
(232)
Christopher Grow, Kaifu Gao, Duc D Nguyen and Guo-Wei Wei, Generative network
complex (GNC) for drug discovery, Communications in Information and Systems, 19, 241-277
(2019).
(231) Rundong Zhao, Mathieu Desbrun, Guo-Wei Wei and Yiying Tong, 3D Hodge Decompositions of Edge- and Face-based Vector Fields, ACM Transactions on Graphics (TOG) 38 (6), 181 (2019).
(230) Guo-Wei Wei, Protein structure prediction beyond AlphaFold, Nature Machine Intelligence, Vol. 1, 336-337, (2019).
(229) Duc D Nguyen and Guo-Wei
Wei, AGL-Score: Algebraic Graph Learning Score for Protein-Ligand Binding
Scoring, Ranking, Docking, and Screening, Journal of Chemical Information and
Modeling, 59, 3291-3304, (2019).
(228) Duc D. Nguyen and Guo-Wei Wei, DG-GL: Differential geometry based geometric learning of molecular datasets, International Journal for Numerical Methods in Biomedical Engineering, 35 (3), e3179 (2019).
(227) Duc Duy Nguyen, Zixuan Cang, Kedi Wu, Menglun Wang, Yin Cao and Guo-Wei Wei, Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges, Journal of Computer Aided Molecular Design, 33, 71-82 (2019).
(226)
David Bramer and G. W. Wei, Blind prediction of protein B-factor and
flexibility, Journal of Chemical Physics, 149, 134107 (2018).
(225) Rundong Zhao, Menglun
Wang, Yiying Tong and Guo-Wei Wei, A divide-and-conquer strategy for
large-scale Eulerian solvent excluded surface, Communications in
Information and Systems, 18, 299-329 (2018).
(224) Rundong Zhao,
Zixuan Cang, Yiying Tong and Guo-Wei Wei, Protein
Pocket Detection via Convex Hull Surface Evolution and Associated Reeb Graph,
Bioinformatics, 24 (17), i830-i837 (2018).
(223) Kedi Wu, Zhixiong Zhao,
Renxiao Wang and Guo-Wei Wei, TopP–S: Persistent Homology-Based Multi-Task Deep Neural
Networks for Simultaneous Predictions of Partition Coefficient and Aqueous
Solubility, Journal of
Computational Chemistry, 39, 1444-1454 (2018).
(222) Kedi Wu and Guo-Wei Wei,
Quantitative toxicity prediction using topology based multi-task deep neural
networks, Journal of Chemical
Information and Modeling, 58, 520-531
(2018).
(221) David Bramer and G. W. Wei, Multiscale weighted colored graphs for protein flexibility and rigidity analysis, Journal of Chemical Physics, 148, 054103 (2018). (This work was featured in AIP Scilight)
(220) Ahmet Erdemir, Peter J.
Hunter, Gerhard A. Holzapfel, Leslie M. Loew, John Middleton, Christopher R.
Jacobs, Perumal Nithiarasu, Rainlad Löhner, Guowei Wei , Beth A. Winkelstein, Victor H.
Barocas
, Farshid Guilak , Joy P. Ku, Jennifer L. Hicks , Scott L. Delp, Michael Sacks , Jeffrey A. Weiss , Gerard A. Ateshian, Steven A.
Maas, and Andrew D. McCulloch,
Perspectives on Sharing Models and Related Resources in Computational
Biomechanics Research, Journal of Biomechanical
Engineering, 140, 024701, (2018).
(219) Z. X. Cang, Lin Mu and Guo-Wei Wei, Representability
of algebraic topology for biomolecules in machine learning based scoring and
virtual screening,
PLOS Computational Biology, 14(1),
e100592 (2018).
(218) Yuri A. Nedialkov, Kristopher Opron, Hailey L. Caudill1,
Fadi Assaf, Amanda J. Anderson, Robert I. Cukier, Guo-Wei Wei and Zachary F.
Burton, Hinge action versus grip in
translocation by RNA polymerase, Transcription, 9,1-16 (2018)
(217) Elizabeth Jurrus, Dave Engel, Keith
Star, Kyle Monson, Juan Brandi, Lisa E Felberg, David H Brookes, Leighton
Wilson, Jiahui Chen, Karina Liles, Minju Chun, Peter Li, Todd Dolinsky, Robert
Konecny, David R Koes, Jens Erik Nielsen, Teresa Head-Gordon, Weihua Geng,
Robert Krasny, Guo-Wei Wei, Michael J Holst, J Andrew McCammon, and Nathan A
Baker, Improvements to the APBS
biomolecular solvation software suite,
Protein Science, 27, 112-128 (2018)
(216)
Bao Wang, Chengzhang Wang, Kedi Wu and Guo-Wei Wei, Breaking the
polar-nonpolar division in solvation free energy prediction, Journal of Computational
Chemistry, 39, 217–232 (2018).
(215) Z. X. Cang and
Guo-Wei Wei, Integration of element specific persistent homology and machine
learning for protein-ligand binding affinity prediction, International
Journal for Numerical Methods in Biomedical Engineering, 34 (2), e2914 (2018).
(214) Guo-Wei Wei, Mathematics at the eve of a
historic transition in biology, Molecular Based Mathematical Biology, 5, 138-141 (2017).
(213) Guo-Wei Wei, Persistent
homology analysis of biomolecular data, SIAM News, 50 (10) December (2017).
(212) Z. X. Cang and
Guo-Wei Wei, TopologyNet: Topology based
deep convolutional and multi-task neural networks for biomolecular property
predictions
, PLOS Computational Biology,
13(7), e1005690 (2017).
(211) Z. X. Cang and
Guo-Wei Wei, Element specific persistent homology for the analysis and
prediction of protein folding stability upon mutation, Bioinformatics, 33, 3549-3557 (2017).
(210) Duc D Nguyen, Tian Xiao,
Menglun Wang and Guo-Wei Wei, Rigidity
strengthening: A mechanism for
protein-ligand binding, Journal of Chemical Information and Modeling,
57, 1715-1721 (2017).
(209)
Bao Wang, Zhixiong Zhao, Duc Nguyen and Guo-Wei Wei, Feature functional theory
- binding predictor (FFT-BP) for the blind prediction of binding free energy,
Theoretical Chemistry Account, 136, 55 (2017).
(208)
Yin Cao, Bao Wang, Kelin Xia and Guo-Wei Wei, Finite volume formulation of the
MIB method for elliptic interface problems, Journal of Computational and Applied Mathematics, 321, 60-77
(2017).
(207)
Duc D Nguyen, Bao Wang and Guo-Wei Wei, Accurate, robust and
reliable calculations of
Poisson-Boltzmann binding energies,
Journal of Computational Chemistry, 38,
941-948 (2017).
(206)
Duan Chen and Guo-Wei Wei, A Review of Mathematical Modeling, Simulation and Analysis of
Membrane Channel Charge Transport, Reference Module in Life Sciences, https://doi.org/10.1016/B978-0-12-809633-8.12044-8
(2017).
(205) Yongcheng Zhou and Guo-Wei Wei, Variational Methods for Biomolecular Modeling, in Variational
Methods in Molecular Modeling, Edited by Jianzhong Wu, Springer
Science+Business Media Singapore, 181-221, (2017).
(204) Beibei Liu, Bao Wang, Rundong Zhao,
Yiying Tong and Guo-Wei Wei, ESES:
software for Eulerian solvent excluded surface, Journal of Computational
Chemistry, 38, 446-466 (2017).
(203) Lin Mu, Kelin Xia and
Guo-Wei Wei, Geometric and
electrostatic modeling using molecular rigidity functions, Journal of Computational and Applied Mathematics, 313, 18-37 (2017).
(202) Duc D Nguyen and Guo-Wei Wei, The impact
of surface area, volume, curvature and Lennard-Jones potential to solvation
modeling, Journal of Computational Chemistry, 38, 24–36 (2017).
(200) Guo-Wei Wei, Mathematical
Molecular Bioscience and Biophysics, SIAM News,
49 (7), (2016).
(199) Bao Wang, Zhixiong Zhao
and Guo-Wei Wei, Automatic parametrization of non-polar implicit solvent models
for the blind prediction of solvation free energies, Journal of Chemical
Physics, 145, 124110
(2016).
(198)
Duc D Nguyen, Kelin Xia and Guo-Wei Wei,
Generalized flexibility-rigidity index, Journal of Chemical Physics, 144, 234106 (2016).
(197) Kristopher Opron, Kelin Xia, Zachary
F. Burton and Guo-Wei Wei, Flexibility-Rigidity
Index for Protein-Nucleic Acid Flexibility and Fluctuation Analysis,
Journal of Computational Chemistry, 37, 1283–1295 (2016).
(196)
Zachary F. Burton, Kristopher Opron, Guowei Wei and James H. Geiger, A model for genesis of
transcription systems, Transcription, 7, 1-13 (2016).
(195)
Bao Wang and Guo-Wei Wei, Object-oriented persistent homology, Journal of Computational Physics, 305,
276-299 (2016).
(194)
Zixuan Cang, Lin Mu, Kedi Wu, Kris Opron, Kelin Xia and Guo-Wei Wei, A
topological approach to protein classification, Molecular based Mathematical
Biology, 3, 140-162 (2015)
(193)
Kelin Xia, Kristopher Opron and Guo-Wei Wei, Multiscale Gaussian network model
(mGNM) and multiscale anisotropic network model (mANM), Journal of Chemical Physics,
143, 204106 (2015).
(192)
Bao Wang and Guo-Wei Wei, Parameter
optimization in differential geometry based solvation models, Journal of
Chemical Physics, 143, 134119 (2015).
(191)
Kelin Xia, Zhixiong Zhao and
Guo-Wei Wei, Multiresolution
persistent homology for excessively large biomolecular datasets, Journal of
Chemical Physics, 143, 134103 (2015).
(190)
Kristopher Opron, Kelin Xia, and Guo-Wei Wei, Communication: Capturing protein
multiscale thermal fluctuations, Journal of Chemical Physics, 142, 211101 (2015).
(189)
Jinkyoung Park, Kelin Xia and G.W. Wei,
Atomic scale design and three-dimensional simulations of nanofluidic
systems, Microfluidics and Nanofluidics, 19, 665-692 (2015).
(188)
Kelin Xia and
Guo-Wei Wei, Multidimensional
persistence in biomolecular data, Journal of Computational
Chemistry, 36, 1502-1520 (2015).
(187)
Kelin Xia, Zhixiong Zhao and
Guo-Wei Wei, Multiresolution
topological simplification, Journal of Computational Biology, 22, 9, 1-5 (2015).
(186)
Bao Wang, Kelin Xia and Guo-Wei
Wei, Matched interface and
boundary method for 3D elastic interface
problems, Journal of
Computational Physics, 294, 405-438
(2015).
(185)
Kelin Xia and
Guo-Wei Wei, Persistent topology for cryo-EM data
analysis, International Journal
for Numerical Methods
in Biomedical Engineering, 31, e02719 (2015).
(184) Langhua
Hu, Duan Chen
and Guo-Wei Wei,
Geometric and phonon
effects on nano
transistors, Journal of
Computational Physics, 290, 169-187
(2015).
(183)
Bao Wang, Kelin Xia and Guo-Wei
Wei, Matched interface and
boundary method for irregular elastic interface problems, Journal of
Computational and Applied Mathematics, 285, 203-225 (2015).
(182)
Kelin Xia, X. Feng,
Yiying Tong and
Guo-Wei Wei, Persistent homology for the quantitative
prediction of fullerene stability, Journal of Computational Chemistry, 36, 408-422
(2015).
(181)
Langhua Hu, Siyang Yang and Guo-Wei
Wei, Simulation of inviscid
compressible flows using PDE transform.
Commun. Comput. Phys., 16, 1201-1238
(2014).
(180)
Kelin Xia and Guo-Wei
Wei, A Galerkin formulation of the MIB method for
three dimensional elliptic interface problems,
Computers and Mathematics with Applications, 68, 719–745, (2014).
(179) Kelin
Xia, Meng Zhan,
and Guo-Wei Wei,
MIB Galerkin method
for elliptic interface
problems, Journal of
Computational and Applied Mathematics,
272. 195-220 (2014).
(178)
Kelin Xia and
Guo-Wei Wei, Persistent homology analysis of protein structure, flexibility
and folding, International Journal
for Numerical Methods
in Biomedical Engineering, 30, 814-844 (2014).
(177)
Kristopher Opron, Kelin Xia, and Guo-Wei Wei, Fast and anisotropic
flexibility-rigidity index for protein flexibility and fluctuation analysis,
Journal of Chemical Physics, 140(23),
(2014).
(176) Kelin
Xia and Guo-Wei Wei, Molecular nonlinear dynamics and protein thermal
uncertainty quantification, Chaos, 24, 013103 (2014).
(175)
Shan Zhao and
Guo-Wei Wei, A
unified discontinuous Galerkin
framework for time
integration, Mathematical Methods in the Applied Sciences, 37, 1042-1071 (2014).
(174) Kelin
Xia, Xin Feng,
Zhan Chen, Yiying Tong and
Guo-Wei Wei, Multiscale
geometric modeling of macromolecules I:
Cartesian representation, Journal of Computational Physics, 257, 912-936
(2014).
(173) Kelin Xia, and Guo-Wei Wei, A stochastic
model for protein flexibility analysis, Physical Review E, 88, 062709 (2013).
(172) X. Feng,
Kelin Xia, Zhan Chen, Yiying Tong
and Guo-Wei Wei, Multiscale geometric modeling of macromolecules II:
Lagrangian representation, Journal of Computational Chemistry, 34, 2100-2120
(2013).
(171)
Kelin Xia, Kristopher Opron and Guo-Wei Wei, Multiscale multiphysics and
multidomain models — Flexibility and rigidity, Journal of Chemical
Physics, 139, 194109 (2013).
(170) L.
Mu, J. P. Wang, G. W.
Wei, X. Ye and S.
Zhao, Weak Galerkin
methods for second
order elliptic interface
problems, Journal of Computational Physics, 250,
106-125 (2013).
(169) Michael Daily, Jaehun Chun, Alejandro
Heredia-Langner, Guo-Wei Wei, and Nathan Baker,
Origin of parameter degeneracy and molecular shape relationships in
geometric-flow calculations of solvation free energies. Journal of Chemical
Physics, 139, 204108 (2013).
(168)
Guo-Wei Wei, Multiscale multiphysics and multidomain models I: Basic theory,
Journal of Theoretical and Computational Chemistry, 12(8), 1341006 (2013)
(167)
Jinkyoung Park and G.W. Wei, A molecular
level prototype for mechanoelectrical transducers in mammalian
hair cells, Journal of Computational Neuroscience, 35, 231-241, (2013).
(166) Dennis G. Thomas, Jaehun Chun, Zhan Chen, Guo-Wei Wei, Nathan A.
Baker, Parameterization of a geometric flow implicit solvation model,
Journal of Computational
Chemistry, 24, 687-695 (2013)
(165) Emil Alexov and Guo-Wei Wei, Preface: Special issue on modeling
electrostatics in molecular biology (MEMB), Commun. Comput. Phys., 13(1) 1-5, (2013).
(164)
Duan Chen and
Guo-Wei Wei, Quantum
dynamics in continuum
models for proton
transport I: Basic
formulation, Communication in
Computational Physics, 13,
285-324 (2013)
(163) Langhua
Hu, Duan Chen
and Guo-Wei Wei,
High-order fractional partial
differential equations for molecular surface construction, Molecular Based
Mathematical Biology, 1-25 (2012).
(162)
X. Feng,
Kelin Xia, Yiying
Tong and Guo-Wei
Wei, Geometric modeling
of organelles, subcellular
structures and multiprotein
complexes, International Journal
for Numerical Methods
in Biomedical Engineering, 28, 1198-1223 (2012).
(161) Zhan
Chen, Shan Zhao,
Jaehun Chun, Dennis G. Thomas,
Nathan Baker, Peter
Bates and Guo-Wei
Wei, Variational approach
for nonpolar solvation
analysis, Journal of Chemical Physics,
137, 084101 (2012).
(160) Anita T. Layton and Guo-Wei Wei, Editorials: Interface methods for biological and biomedical problems, International Journal for Numerical Methods in Biomedical Engineering, 28, 289–290, (2012)
(159) Duan
Chen and Guo-Wei
Wei, Quantum dynamics
in continuum models
for proton transport
--- Generalized correlation, Journal of Chemical
Physics, 136, 134109
(2012)
(158) Guo-Wei
Wei, Qiong Zheng,
Zhan Chen, and Kelin
Xia, Variational
multiscale models for
charge transport, SIAM Review.
54(4), 699-754 (2012).
(157) Yang
Wang, Guo-Wei Wei
and Siyang Yang,
Selective extraction of
entangled textures via
adaptive PDE transform,
Int. J. Biomed
Imaging, Volume 2012 (2012),
Article ID 958142 (2012).
(156) Langhua
Hu and Guo-Wei
Wei, Nonlinear Poisson
equation for heterogeneous
media. Biophysical
Journal, 103, 758–766
(2012).
(155) Duan
Chen, Zhan Chen
and Guo-Wei Wei,
Quantum dynamics in
continuum models for
proton transport II:
Variational solvent-solute interface, International Journal
for Numerical Methods
in Biomedical Engineering,
28, 25-51 (2012)
(154) Qiong
Zheng, Siyang Yang
and Guo-Wei Wei,
Molecular surface generation using
PDE transform. International Journal
for Numerical Methods
in Biomedical Engineering, 28, 291-316 (2012)
(153)
Yang Wang, Guo-Wei
Wei and Siyang
Yang, Model decomposing
evolution equations, Journal
of Scientific Computing, 50, 495-518 (2012).
(152) Yang
Wang, Guo-Wei Wei
and Siyang Yang,
Empirical model decomposition using
local spectral evolution
kernels, Journal of
Scientific Computing, 50, 629-664
(2012).
(151) Kelin
Xia, Meng Zhan,
Decheng Wan and
Guo-Wei Wei, Adaptively
deformed mesh based
matched interface and
boundary (MIB) method
for elliptic interface
problems, Journal of
Computational Physics, 231,
1440–1461 (2012).
(150) Zhan
Chen and G. W. Wei,
Differential geometry based
salvation model III:
Quantum formulation, Journal
of Chemical Physics, 135, 194108
(2011).
(149) Qiong
Zheng and Guo-Wei
Wei,
Poisson-Boltzmann-Nernst-Planck
model. Journal of
Chemical Physics, 134
(19), 194101, (2011)
(It was
the most downloaded
in JCP in
May 2011)
(148) Kelin
Xia, Meng Zhan
and Guo-Wei Wei,
The matched interface
and boundary (MIB)
method for multi-domain elliptic
interface problems. Journal
of Computational Physics,
230, 8231–8258 (2011)
(147) Yang
Wang, Guo-Wei Wei
and Siyang Yang,
Partial differential equation
transform --- variational
formulation and Fourier
analysis , International Journal
for Numerical Methods
in Biomedical Engineering, 27,
1996-2020, (2011).
(146)
Qiong Zheng, Duan
Chen and Guo-Wei
Wei, Second-order Poisson-Nernst-Planck solver
for ion transport.
Journal of Computational Physics,
230, 5239-5262 (2011)
(145)
Zhan Chen, Nathan
Baker and G.
W. Wei, Differential geometry
based salvation model
II: Lagrangian formulation
(62 pages), Journal
of Mathematical Biology, 63,
1139–1200,
(2011).
(144) Weihua
Geng and G.W.
Wei, Multiscale molecular dynamics
via the matched
interface and boundary
(MIB) method, Journal
of Computational Physics,
230, 435-457 (2011).
(143) Duan
Chen, Zhan Chen,
Changjun Chen, Weihua
Geng and Guo-Wei
Wei, MIBPB: A
software package for
electrostatic analysis, Journal
of Computational Chemistry, 32,
756–770 (2011).
(142) G.
W. Wei, Lalita Udpa,
Yang Wang and
Shan Zhao, Editorial:
Mathematical methods
for images and
surfaces, International Journal
of Biomedical Imaging,
Volume 2010, Article
ID 918467, 3
pages (2010).
(141) Zhan Chen,
Nathan Baker and
G. W. Wei,
Differential geometry based
solvation model I:
Eulerian formulation, Journal
of Computational Physics,
229, 8231-8258 (2010).
(140) Duan
Chen and Guo-Wei
Wei, Modeling
and simulation of
nano-electronic devices, Journal
of Computational Physics,
229, 4431-4460, (2010).
(139) Changjun
Chen, Rishu Saxena,
and Guo-Wei Wei,
Differential geometry based
multiscale model for
virus capsid dynamics,
Int. J. Biomed
Imaging, Volume 2010,
Article ID 308627,
9 pages (2010).
(138) Guo-Wei,
Wei, Differential geometry
based multiscale models,
Bulletin of Mathematical Biology, volume
72, 1562-1622, (2010).
(137) C.H.W.
Ng, Y.B. Zhao,
Y. Xiang and
G.W. Wei, On
the accuracy and
stability of a
few differential quadrature formulations for
the vibration analysis
of beams, Int.
J. Engng. Applied
Sci. 1 (4),
1-25 (2009).
(136) G.W.
Wei and G.
Wang, Editorial: Special
issue on recent
advances in computational techniques
for biomedical imaging,
Commun. Numer. Methods
Engng, 25, 581-582
(2009)
(135) P.
Bates, Z. Chen,
Y.H. Sun, G.W.
Wei and S.
Zhao, Geometric and
potential driving formation
and evolution of
biomolecular surfaces, J.
Math. Biol. 59,
193-231 (2009)
(134) Shan
Zhao and G.W.
Wei, Matched interface
and boundary (MIB)
for the implementation of
boundary conditions in
high order central
finite differences, Int.
J. Numer. Meth.
Engng. 77, 1690-1730
(2009)
(133) Duan
Chen, G.W. Wei,
X. Cong and
Ge Wang, Computational methods
for optical molecular
imaging, Commun. Numer.
Methods Engng, 25,
1137-1161(2008).
(132) S.N.
Yu, Y. Xiang
and G.W. Wei,
Matched interface and
boundary (MIB) method
for the vibration
analysis of plates,
Commun. Numer. Methods
Engng, 25, 923-950
(2009).
(131) S.N.
Yu and G.W.
Wei, Three dimensional
matched interface and
boundary (MIB) method
for geometric singularities, J.
Comput. Phys. 227,
602-632 (2007).
(130) W.H.
Geng, S.N. Yu and G.W.
Wei, Treatment of
charge singularities in
implicit solvent models,
J. Chem. Phys.,
127, 114106 (20
pages) (2007). Also
available at the
Virtual Journal of
Biological Physics Research
October 1, 2007
(129) P.
Bates, G.W. Wei
and S. Zhao,
Minimal molecular surfaces
and their applications, J.
Comput. Chem., 29,
380-391 (2008).
(128) S.
N. Yu, W.
H. Geng and
G.W. Wei, Treatment
of geometric singularities
in implicit solvent
models, J. Chem.
Phys., 126, 244108
(13 pages) (2007).
Also available at
the Virtual Journal
of Biological Physics
Research July 1,
2007.
(127) Y.C.
Zhou, M. Feig
and G.W. Wei,
Highly accurate biomolecular electrostatics in
continuum dielectric environments, J.
Comput. Chem. 29,
87-97 (2008).
(126) G.W.
Wei and S.
Zhao, On the
validity of ``A
proof that the
discrete singular convolution (DSC)/Langrange-distributed approximation function
(LDAF) method is
inferior to high
order finite differences
'', J. Comput.
Phys., 226, 2389-2392
(2007).
(125) S.
N. Yu, Y.
C. Zhou and
G. W. Wei,
Matched interface and
boundary (MIB) method
for elliptic problems
with sharp-edged interfaces,
J. Comput. Phys.
224, 729-756 (2007).
(124) G.W.
Wei, Editoral: Recent
advances in mathematical
methods for the
analysis of biomedical
image, International Journal
of Biomedical Imaging,
vol. 2006, 70578,
1, (2006).
(123) S.F.
Shieh, Y.Q. Wang
, G.W. Wei
and C.-H. Lai,
Mathematical analysis of
the wavelet method
of chaos control,
J. Math. Phys.,
47, 082701 (2006).
(122) Y.C.
Zhou and G.W.
Wei, On the
fictitious-domain and interpolation formulations of
the matched interface and
boundary (MIB) method,
J. Comput. Phys.
219, 228-246 (2006).
(121) Ge
Wang, Haiou Shen
Wenxiang Cong, Shan
Zhao and G.W.
Wei, Temperature modulated
bioluminescence tomography,
Optics Express, 14
(17) 7852-7871 (2006).
(120) L.
Zhang, Y. Xiang
and G.W. Wei,
Local adaptive differential quadrature for
free vibration analysis
of cylindrical shells with
various boundary conditions, International Journal
of Mechanical Sciences,
48, 1126-1138 (2006).
(119) Y.H.
Sun, P.R. Wu,
G.W. Wei and
G. Wang, Evolution
operator based single-step method
for image processing,
Int. J. Biomed.
Imaging, 83847, 1-27
(2006).
(118) Y.H.
Sun, Y.C. Zhou,
S. G. Li
and G.W. Wei,
A windowed Fourier
spectral scheme for
hyperbolic conservation laws,
J. Comput. Phys.
, 214, 466-490
(2006).
(117) Y.C.
Zhou, S. Zhao,
M. Feig and
G. W. Wei,
High order matched
interface and boundary
(MIB) schemes for
elliptic equations with
discontinuous coefficients and
singular sources, J.
Comput. Phys. ,
213, 1-30, (2006).
(116) C.W.
Lim, Z.R. Li, Y. Xiang,
G.W. Wei and
C.M. Wang, On
the missing modes
when using the
exact frequency relationship between
Kirchhoff and Mindlin plates,
Advances in Vibration
Engineering, 4, 221-248,
(2005).
(115) Y.-C.
Lai, Z. Liu,
G.-W. Wei, C.
H. Lai, Reply
to ``Comment on
`Shadowability of statistical averages
in chaotic systems''', Physical
Review Letters, 94,
219403 (2005).
(114) S.G.
Guan, C.H. Lai
and G.W. Wei,
Phase synchronization between
two essentially different
chaotic systems, Phys.
Rev. E ,
72, 016205 (2005).
(113) S.G.
Guan, C.H. Lai
and G.W. Wei,
Bistable chaos without
symmetry in generalized synchronization, Phys.
Rev. E ,
71, 036209 (2005).
(112) S.N.
Yu, S. Zhao
and G.W. Wei,
Local spectral time
splitting method for
first and second
order partial differential equations, J.
Comput. Phys., 206,
727-780 (2005).
(111) S.
Zhao, G.W. Wei
and Y. Xiang,
DSC analysis of
free-edged beams by
an iteratively matched
boundary method, J.
Sound Vibr., 284,
487-493 (2005).
(110) S.
Zhao and G.W.
Wei, Option valuation
by using discrete
singular convolution, Appl.
Math. Comput., 167,
383-418 (2005).
(109) C.W.
Lim, Z.R. Li and G.W.
Wei, DSC-Ritz method
for the high
frequency mode analysis
of thick shallow
shells, Int. J.
Numer. Meth. Engng.,
62, 205-232 (2005).
(108) Y.S.
Hou, G.W. Wei
and Y. Xiang,
DSC-Ritz method for
the vibration analysis
of Mindlin plates,
Int. J. Numer.
Meth. Engng., 62,
262-288 (2005).
(107) S.
Zhao and G.W.
Wei, Tensor product
derivative matching for
wave propagation in
inhomogeneous media, Microwave
Optical Techn. Lett.,
43(1), 69-77 (2004).
(106) S.
Guan, G.W. Wei
and C.H. Lai,
Controllability of flow
turbulence, Phys. Rev.
E, 69, 066214
(2004).
(105) S.
Zhao and G.W.
Wei, High order
FDTD methods via
derivative matching
for Maxwell's equations
with material interfaces,
J. Comput. Phys.,
200, 60-103, (2004).
(104) C.H.W.
Ng, Y.B. Zhao
and G.W. Wei,
Comparison of the
DSC and GDQ
methods for the
vibration analysis of plates,
Comput. Methods Appl.
Mech. Engng., 193,
2483-2506 (2004).
(103) G.
Bao, G.W. Wei,
and S. Zhao,
Numerical solution of the Helmholtz
equation with high
wave numbers, Int.
J. Numer. Meth.
Engng., 59, 389-408
(2004).
(102) Y.
Xiang and G.W.
Wei, Exact solution
for buckling and
vibration of stepped
rectangular Mindlin plates,
Int. J. Solid
Struct. , 41,
279-294 (2004).
(101) M.
Zhan, X. Wang,
X. Gong,
G.W. Wei, and
C.-H. Lai, Complete
synchronization and generalized
synchronization of one
-way coupled time-delayed
systems, Phys. Rev.
E, 68, 036208
(2003).
(100) S.
Guan, C.-H. Lai
and G.W. Wei,
A new wavelet
method for characterizing turbulence,
Comput. Phys. Commun.
155, 77-91 (2003).
(99) Ying
Wang, Y.B. Zhao
and G.W. Wei,
A note on
the numerical solution
of high-order differential
equations, J. Comput.
Appl. Math., 159,
387-398 (2003).
(98) W.Z.
Bao, F.F. Sun
and G.W. Wei,
Numerical methods for
the generalized Zakharov
system, J. Comput.
Phys., 190, 201-228
(2003).
(97) Z.H.
Shao , G.W.
Wei and S.
Zhao, DSC time-domain
solution of Maxwell's
equations, J. Comput.
Phys., 189, 427-453
(2003).
(96) Y.C.
Zhou and G.W.
Wei, High-resolution conjugate
filters for the
simulation of flows,
J. Comput. Phys.,
189, 150-179 (2003).
(95) S.
Zhao and G.W.
Wei, Comparison of
the discrete singular
convolution and three
other numerical schemes
for Fisher's equation,
SIAM J. Sci.
Comput.,25, 127-147 (2003).
(94) G.
Bao, G.W. Wei
and S. Zhao,
Local spectral time-domain
method for electromagnetic wave
propagation, Optics Letters,
28, 513-515 (2003).
(93) Z.
H. Shao, Z.
Shen, Q. He
and G.W. Wei,
A generalized higher-order
finite difference time
domain method and
its application in
guided-wave problems, IEEE
T. Microwave Theory
Tech., 51, 856-861
(2003).
(92) Y.C.
Zhou, Y. Gu
and G.W. Wei,
Shock-capturing with natural
high frequency oscillations, Int.
J. Numer. Methods
in Fluid, 41,
1319-1338 (2003).
(91) Y.
Gu, Y.C. Zhou
and G.W. Wei,
Conjugate filters with
spectral-like resolution for
2D incompressible flows,
Computers and Fluids,
33, 777-794 (2003).
(90) S. Guan, Y.C.
Zhou, G.W. Wei
and C.-H. Lai,
Controlling flow turbulence,
Chaos, 13, 64-70
(2003).
(89) S.
Guan, C.-H. Lai
and G.W. Wei,
On geometry and
boundary control of
pattern formation and competition, Physica
D, 176, 19-43
(2003).
(88) Y.
Gu and G.W.
Wei, Conjugated filter
approach for shock
capturing, Commun. Numer.
Meth. Engng., 19,
99-110 (2003).
(87) Y.C.
Zhou, B. S.
V. Patnaik, D.C.
Wan and G.
W. Wei, DSC
solution for flow
in a staggered
double lid driven
cavity, Int. J.
Numer. Methods in
Engng. ,57, 211-234
(2003).
(86) S.
Zhao and G.W.
Wei, Jump process
analysis for the
trend estimation of
time series, Comput.
Statist. Data Anal.,
42, 219-241 (2003).
(85) G.W.
Wei, M. Zhan,
and C.-H. Lai,
Tailoring wavelets for
chaos control, Phys.
Rev. Lett. 89,
284103 (2002). This work
was highlighted in
Physical Review Letters
and featured in
Nature.
(84) G. W.
Wei and Y.
Q. Jia, Synchronization based
image edge detection,
Europhys. Lett. 59,
814-819 (2002).
(83) Y.-C.
Lai, Z.H. Liu,
G.W. Wei, and
C.-H. Lai, Shadowing
of statistical averages
in chaotic systems,
Phys. Rev. Lett
. 89, 184101
(2002).
(82) M.
Zhan, G.W. Wei,
C.-H. Lai, Y.-C.
Lai and Z.H.
Liu, Coherent resonance
near Hopf bifurcation
from chaos, Phys.
Rev. E 66,
036201 (2002).
(81) G.W.
Wei, and Y.
Gu, Conjugated filter
approach for solving
Burger's equation, J.
Comput. Appl. Math.,
149, 439-456 (2002).
(80) Y.
Xiang, Y.B. Zhao
and G.W. Wei,
Closed form solutions
for vibration of
multi-span rectangular plates,
Int. J. Mech.
Sci. , 44,
1195-1218 (2002).
(79) D.C.
Wan, B.S.V. Patnaik
and G.W. Wei,
Discrete singular convolution-finite subdomain
method for the
solution of incompressible viscous
flows, J. Comput.
Phys. 180, 229-255
(2002).
(78) Y.
Xiang and G.W.
Wei, Exact solutions
for the vibration
of multi-span rectangular
Mindlin plates, Journal
of Vibration and
Acoustics, Trans. ASME,
124, 545-551 (2002).
(77) G.W.
Wei, Oscillation reduction
by anisotropic diffusions,
Comput. Phys. Commun.
, 144 ,
417-342 (2002).
(76) G.W.
Wei, Y.B. Zhao,
and Y. Xiang,
A novel approach
for the analysis
of high frequency
vibrations, J. Sound
and Vibration ,
257, 207-246 (2002).
(75) Y.B.
Zhao and G.W.
Wei, DSC analysis
rectangular plates with
nonuniform boundary conditions,
J. Sound and
Vibration, 255, 203-225
(2002).
(74) G.W.
Wei and S.
Zhao, Synchronization and
information processing by an on-off
coupling, Phys. Rev.
E, 65, 056210
(2002).
(73) Y.
Xiang, Y.B. Zhao
and G.W. Wei,
Discrete singular convolution
and its application
to the analysis
of plates with
internal supports. II
Complex supports, Int.
J. Numer. Methods
Engng. , 55,
947-971 (2002).
(72) G.W.
Wei, Y.B. Zhao
and Y. Xiang,
Discrete singular convolution
and its application
to the analysis
of plates with
internal supports, I
Theory and algorithm, Int.
J. Numer. Methods
Engng. , 55,
913-946 (2002).
(71) B.F.
Feng and G.W.
Wei, A comparison
of the spectral
and the discrete
singular convolution schemes
for the KdV-type
equations, J. Comput.
Appl. Math. ,
145, 183-188 (2002).
(70) Z.J.
Hou and G.W.
Wei, A new
approach for edge
detection, Pattern Recognition,
35(7) , 1559-1570
(2002).
(69) B.
S. V. Patnaik
and G.W. Wei,
Controlling wake turbulence
[Phys. Rev. Lett.
88, 054502 (2002)],
Phys. Rev. Lett.
, 88, 127901
(2002).
(68) Y.B.
Zhao, G.W. Wei,
and Y. Xiang,
Plate vibration under
irregular internal supports,
Int. J. Solids
and Structures, 39,
1361-1383 (2002).
(67) S.
Guan, C.-H. Lai
and G.W. Wei,
A wavelet method
for the characterization of
spatiotemporal patterns, Physica
D , 163
, 49-79 (2002).
(66) D.C.
Wan, Y.C. Zhou
and G.W. Wei,
Numerical solution of
incompressible flows by
the discrete singular
convolution, Int. J.
Numer. Methods Fluid,
38 ,789-810 (2002).
(65) M.
Zhan, G.W. Wei
and C.-H. Lai,
Transition from intermittence
to periodicity in
lag synchronization in
coupled Rossler oscillators,
Phys. Rev. E , 65,
036202 (2002).
(64) S.
Y. Yang, Y.
C. Zhou and
G.W. Wei, Comparison
of the discrete
singular convolution algorithm
and the Fourier
pseudospectral methods for
solving partial differential equations,
Comput. Phys. Commun.
, 143 ,
113-135 (2002).
(63) B.
S. V. Patnaik,
and G.W. Wei, Controlling wake
turbulence, Phys. Rev.
Lett. , 88
, 054502 (2002).
This work
was featured in
Physical Review Focus
and Wissenschat-online.
(62) Y.B.
Zhao, G.W. Wei,
and Y. Xiang,
Discrete singular convolution
for the prediction
of high frequency
vibration of plates,
Int. J. Solids
and Struct., 39,
65-88 (2002).
(61) G.W.
Wei, H. Wang,
D.J. Kouri, M.
Papadakis, I.A. Kakadiaris,
and D.K. Hoffman,
On the mathematical
properties of distributed
approximating functionals, J.
Math. Chem., 30
, 83-107 (2001).
(60) Z.
Shi, G.W. Wei,
D.J. Kouri, D.K.
Hoffman, Z. Bao,
Lagrange wavelets for
signal processing, IEEE
T. Image Processing,
10 , 1488-1508
(2001).
(59) D.C.
Wan, B.S.V. Patnaik
and G.W. Wei,
A new benchmark
quality solution for
the buoyancy driven
cavity by discrete
singular convolution, Numer.
Heat Transfer B
- Fundamentals ,
40 , 199-228
(2001).
(58) G.W.
Wei, Y.B. Zhao
and Y. Xiang,
The determination of the natural
frequencies of rectangular
plates with mixed
boundary conditions by
discrete singular convolution, Int.
J. Mech. Sci.
, 43 , 1731-1746 (2001).
(57) S.
Guan, C.-H. Lai
and G.W. Wei,
Fourier-Bessel analysis of
patterns in a
circular domain, Physica
D , 151
, 83-98 (2001).
(56) G.W.
Wei, Discrete singular
convolution for beam
analysis, Engineering Structures
, 23 ,
1045-1053 (2001).
(55) G.W.
Wei, Vibration analysis
by discrete singular
convolution, J. Sound
Vibration , 244
, 535-553 (2001).
(54) G.W.
Wei, Synchronization of
single-side locally averaged
adaptive coupling and
its application to
shock capturing, Phys.
Rev. Lett. ,
86 , 3542-3545
(2001).
(53) G.W.
Wei, A new
algorithm for solving
some mechanical problems,
Comput. Methods Appl.
Mech. Engng., 190,
2017-2030 (2001).
(52) D.C.
Wan and G.W.
Wei, The study
of quasi wavelets
based numerical method
applied to Burgers'
equations, Appl. Math.
Mech-Engl , 21
, 1099-1110 (2000).
(51) D.C.
Wan and G.W.
Wei, Numerical solution
of incompressible Euler
and Navier-Stokes equations
by efficient discrete
singular convolution method,
Acta Mechanica Sinica,
16 , 223-239
(2000).
(50) G.W.
Wei, Wavelets generated
by using discrete
singular convolution kernels,
J. Phys. A,
Mathematical and General,
33 , 8577-8596
(2000).
(49) G.W.
Wei, A unified
approach for the
solution of the
Fokker-Planck equation, J.
Phys. A, Mathematical
and General ,
33 , 4935-4953
(2000).
(48) G.W.
Wei, Solving quantum
eigenvalue problems by
discrete singular convolution,
J. Phys. B
, 33 ,
343-352 (2000).
(47) G.W.
Wei, Discrete singular
convolution for the
sine-Gordon equation, Physica
D, 137 ,
247-259 (2000).
(46) D.
K. Hoffman, G.
W. Wei, and
D. J. Kouri,
A variation approach
to the Dirichlet--Gabor wavelet-distributed approximating
functional, J. Math.
Chem., 25, 235-244
(1999).
(45) D.S.
Zhang, G.W. Wei,
D.J.Kouri, David K.
Hoffman, Michael Gorman,
Antonio Palacios, and
Gemunu H. Gunaratne,
Integrating the Kuramoto-Sivashinsky equation
in polar coordinates:
Application of the
distributed approximating functional
approach, Phys. Rev.
E., 60 ,
3353-3360 (1999).
(44) Zhuoer
Shi, D.J. Kouri,
G.W. Wei, and
David K. Hoffman,
Generalized symmetric interpolating
wavelets, Comput. Phys.
Commun., 119, 194-218
(1999).
(43) D.J.
Kouri, D.S. Zhang,
G.W. Wei, and
D.K. Hoffman, Numerical
solutions of nonlinear
wave equations ,
Phys. Rev. ,
E 59 ,
1274-1277 (1999).
(42) G.W.
Wei, Generalized Perona-Malik equation
for Image Restoration,
IEEE Signal Processing
Lett., 6, 165-167
(1999).
(41) G.W.
Wei, Discrete singular
convolution for the
solution of the
Fokker-Planck equations, J.
Chem. Phys. ,
110 , 8930-8942
(1999).
(40) G.W.
Wei, Generalized reaction-diffusion equations,
Chem. Phys. Lett
. , 303,
531-536 (1999).
(39) S.
Alavi, G.W. Wei
and R.F. Snider,
Chain relations of
reduced distribution functions
and their associated
correlation functions, J.
Chem. Phys., 108
, 706-714 (1998).
(38) D.S.
Zhang, G.W. Wei,
D.J. Kouri and
D.K. Hoffman, Lagrange
distributed approximating functional
method for the
solution of the
Schrodinger equation, Chem.
Phys. Lett. ,
284 , 56-62
(1998).
(37) D.K.
Hoffman, G.W. Wei,
D.S. Zhang, and
D.J. Kouri, Interpolating
distributed approximating functionals,
Phys. Rev. ,
E 57 ,
6152-6160 (1998).
(36) D.K.
Hoffman, G.W. Wei,
and D.J. Kouri,
Shannon-Gabor wavelet distributed
approximating functional, Chem.
Phys. Lett. ,
287 , 119-124
(1998).
(35) G.W.
Wei, D.S. Zhang,
D.J. Kouri and
D.K. Hoffman, Distributed
approximating functional approach
to Burgers' equation
in one and
two space dimensions,
Comput. Phys. Commun.
, 111 ,
87-92 (1998).
(34) G.W.
Wei, S. Althorpe,
D.J. Kouri and
D.K. Hoffman, Lagrange-distributed approximating-functional approach
to wave-packet propagation:
Application to the
time-independent wave-packet reactant-product decoupling
method, Phys. Rev.
A 57 (5)
, 3309-3316 (1998).
(33) G.W.
Wei, D.J. Kouri,
and D.K. Hoffman,
Wavelets and distributed
approximating functionals, Comput.
Phys. Commun. ,
112, 1-6 (1998).
(32) G.W.
Wei, D.S. Zhang,
D.J. Kouri, and
D.K. Hoffman, Wavelet-distributed approximating
functional method for
solving the Navier-Stokes
equation, Comput. Phys.
Commun. , 115
, 18-24 (1998).
(31) G.W.
Wei, D.S. Zhang,
D.J. Kouri and
D.K. Hoffman, A
robust and reliable
approach to nonlinear
dynamical problems, Comput.
Phys. Commun., 111,
93-109 (1998).
(30) G.W.
Wei, Quasi wavelets
and quasi interpolating
wavelets, Chem. Phys. Lett.,
296 , 215-222
(1998).
(29) G.W.
Wei, S. Althorpe,
D.J. Kouri and
D.K. Hoffman, An
application of distributed
approximating functional-wavelets to
reactive scattering, J.
Chem. Phys., 108
, 7065-7069 (1998).
(28) G.W. Wei,
D.S. Zhang, D.J.
Kouri and
D.K. Hoffman, Lagrange
distributed approximating functionals,
Phys. Rev. Lett.
,79 , 775-779
(1997).
(27) G.W.
Wei, S. Alavi
and R.F. Snider,
Equal reaction rates
for all recombination
pathways, J. Chem.
Phys , 106
, 1463-1466 (1997).
(26) D.S.
Zhang, G.W. Wei,
D.J. Kouri and
D.K. Hoffman, Distributed
approximating functional approach
to the Fokker-Planck
equation: Eigenfunction expansion,
J. Chem.
Phys. , 106
, 5216-5224 (1997).
(25) D.S.
Zhang, G.W. Wei,
D.J. Kouri and
D.K. Hoffman, Burgers'
equation with high
Reynolds number, Phys.
Fluids , 9
, 1853-1855 (1997).
(24) D.S.
Zhang, G.W. Wei,
D.J. Kouri and
D.K. Hoffman, Numerical
method for the
nonlinear Fokker-Planck equation,
Phys. Rev. E
56 , 1197-1206
(1997).
(23) G.W.
Wei, D.S. Zhang,
D.J. Kouri and
D.K. Hoffman, Distributed
approximating functional approach
to the Fokker-Planck
equation: Time propagation,
J. Chem. Phys.,
107 , 3239-3246
(1997).
(22) J.G.
Muga, G.W. Wei
and R.F. Snider,
Short-time behaviour of
the quantum survival
probability, Europhys. Lett.,
35, 247-252 (1996).
(21) J.G.
Muga, G.W. Wei
and R.F. Snider,
Survival probability for
the Yamaguchi potential,
Ann. Phys. ,
252 , 336-356
(1996).
(20) R.F.
Snider, G.W. Wei
and J.G. Muga,
Moderately dense gas
quantum kinetic theory:
Transport coefficient expressions,
J. Chem. Phys.
, 105 ,
3066-3078 (1996).
(19) R.F.
Snider, G.W. Wei
and J.G. Muga,
Moderately dense gas
quantum kinetic theory:
Aspects of pair
correlations, J. Chem.
Phys. , 105 , 3057-3065
(1996).
(18) G.W.
Wei and R.F.
Snider, Discrete basis
representation of Ursell
operators, Phys. Rev.
, E 54
, 2414-2418, (1996).
(17) G.W.
Wei and R.
F. Snider, Correlated
state evaluation of the second
virial coefficient, Phys.
Rev. A ,
52(4) , 2925-2936
(1995).
(16) G.
Wei and R.
F. Snider, A
pictorial representation for
multispin evolutions, Concepts
in Magn. Reson.
, 7(2) ,
153-163 (1995).
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W. Schneider, A.
McFarlane, K. Chow,
T. L. Duty,
T. L. Estle,
B. Hitti, R.
L.Lichti, E. J. Ansaldo, C.
Schwab, P. W.
Percival, G. Wei,
S. Wlodek, K.
Kojima, W. J.
Romanow, J. P.
McCauley, Jr, N.
Coustel, J. E.
Fischer, and A.
B. Smith, III,
Molecular dynamics of
the Muonium-C60 radical
in solid C60,
Phys. Rev. Lett.
, 68 ,
2708-2712 (1992).
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F. Kiefl, J.
W. Schneider, A.
McFarlane, K. Chow,
T. L. Duty, T.
L. Estle, B.
Hitti, R. L.
Lichti, E. J.
Ansaldo, C. Schwab,
P. W. Percival,
G. Wei, S.
Wlodek, K. Kojima,
W. J. Romanow,
J. P. McCauley,
Jr, N. Coustel,
J. E. Fischer,
and A. B.
Smith, III, Molecular
dynamics of the
(Mu+)- C60 radical
in solid C60,
Phys. Rev. Lett.
, 68, 1347-1350
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(13) F.L.
Jiang, G.W. Wei,
Z.Y. Huang, X.J.
Lei, M.C. Hong,
B.S. Kang and
H.Q. Liu, Syntheses
and crystal structures
of 2 thiolato-organophosphino cobalt(II)
complexes,
(Et4N)[Co(SC6H5)3(PPh3)] and [Co(S-meta-
C6H4CH3)2(Ph2PCH2CH2P(Ph)CH2CH2PPh2)],
J. Coord. Chem.,
25, 183-191 (1992).
(12) G.W.
Wei, Z.Y. Huang,
X.J. Lei, R.
Cao, F.L. Jiang,
M.C. Hong, L.R.
Huang and H.Q.
Liu, Structure of
[Bis(2-diphenylphospinoethyl)phenylphospine-P, P,
P]
carbonyl-(phenylthiolato)Cobalt(I),
[Co(Ph2PCH2CH2P(Ph)CH2CH2PPh2)(SPh)(CO)], ActaCrystallogr. C,
48, 2130-2132 (1992).
(11) G. Wei, M.
Hong, Z. Huang,
and H. Liu,
Synthesis and crystal
structure of a
platinum(II) complex with
mixed diphosphine and
thiolate ligands, Pt(dppm)(SPh)_2, J.
Struct. Chem., 11(5),
334-338 (1992).
(10) M.C.
Hong, Z.Y. Huang,
X.J. Lei, G.W.
Wei, B.S. Kang
and H.Q. Liu,
Syntheses, properties and
X-ray crystal structures
of hexa-nuclear cobalt
chalcogen clusters Co6S8(PPh3)6
and Co6Se8(PPh3)6.THF, Polyhedron,
10, 927-934 (1991).
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Wei, X.J. Lei,
L.R. Huang, M.C.
Hong and H.Q.
Liu, Synthesis, characterization and
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of
Bis(para-tolylthiolato)bis(tri-n-butylphosphine)-Nickel(II), J.
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9, 238-239 (1991).
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Wei, M.C. Hong,
Z.Y. Huang, and
H.Q. Liu, Stereochemistry of
mixed thiolate and
ditertiary phosphine cobalt
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Crystal structures of
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Hong, L.R. Huang
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Syntheses and stereochemistry of
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[Co2(dppm)(mu-SR)2(SR)2]
(dppm=Ph2PCH2PPh2 - R=C6H5,
m-C6H4CH3, p-C6H4CH3 and
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A cobalt-selenium cluster
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-Di(phenylthio)Palladium(II),
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Liu R. Cao,
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structural characterizations of
a series of
Mo(W)-Cu-S compounds of
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dialkyldithiocarbamate
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X. Lei, G.
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Z.Y. Huang, L.R.
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an asymmetrical dicobalt
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PATENTS
1.
Donald K Kouri,
David K Hoffman, Mark Arnold, Ioannis A Kakadiaris, Zhuoer Shi, DeSheng Zhang,
Gemunu H Gunaratne, Haixiang Wang, Guowei W Wei,
Methods for performing DAF data filtering and padding – US Patent 7272265 (2007).
2. Guowei Wei, Duc D Nguyen and Zixuan Cang, System and methods for machine learning for drug design and discovery - US Patent App. 16/372,239 (2019).
3.
GW Wei,
DD Nguyen, Z Cang, Systems and methods for drug design and discovery comprising
applications of machine learning with differential geometric modeling, US
Patent App. 17/043,551 (2021).
4.
Guowei Wei, Jiahui Chen, Zixuan Cang and Weihua
Geng, Machine learning based implicit solvent models for molecular simulations, Pending, US Patent App. 17/637,440, (2022).