| Analysis of SARS-CoV-2 mutations in the United States suggests presence of four substrains and novel variants R Wang, J Chen, K Gao, Y Hozumi, C Yin, GW Wei Communications biology 4 (1), 228, 2021 | 239* | 2021 |
| Vaccine-escape and fast-growing mutations in the United Kingdom, the United States, Singapore, Spain, India, and other COVID-19-devastated countries R Wang, J Chen, K Gao, GW Wei Genomics 113 (4), 2158-2170, 2021 | 194 | 2021 |
| Repositioning of 8565 existing drugs for COVID-19 K Gao, DD Nguyen, J Chen, R Wang, GW Wei The Journal of Physical Chemistry Letters 11 (13), 5373–5382, 2020 | 160* | 2020 |
| Algebraic graph-assisted bidirectional transformers for molecular property prediction D Chen, K Gao, DD Nguyen, X Chen, Y Jiang, GW Wei, F Pan Nature communications 12 (1), 3521, 2021 | 149 | 2021 |
| Are 2D fingerprints still valuable for drug discovery? K Gao, DD Nguyen, V Sresht, AM Mathiowetz, M Tu, GW Wei Physical chemistry chemical physics 22 (16), 8373-8390, 2020 | 115 | 2020 |
| Prediction and mitigation of mutation threats to COVID-19 vaccines and antibody therapies J Chen, K Gao, R Wang, GW Wei Chemical science 12 (20), 6929-6948, 2021 | 108 | 2021 |
| Generative network complex for the automated generation of drug-like molecules K Gao, DD Nguyen, M Tu, GW Wei Journal of Chemical Information and Modeling 60 (12), 5682-5698, 2020 | 103 | 2020 |
| Boosting tree-assisted multitask deep learning for small scientific datasets J Jiang, R Wang, M Wang, K Gao, DD Nguyen, GW Wei Journal of chemical information and modeling 60 (3), 1235-1244, 2020 | 99 | 2020 |
| MathDL: mathematical deep learning for D3R Grand Challenge 4 DD Nguyen, K Gao, M Wang, GW Wei Journal of computer-aided molecular design 34, 131-147, 2020 | 93 | 2020 |
| Revealing the Threat of Emerging SARS-CoV-2 Mutations to Antibody Therapies J Chen, K Gao, R Wang, GW Wei Journal of Molecular Biology 433 (18), 2021 | 79 | 2021 |
| Perspectives on SARS-CoV-2 Main Protease Inhibitors K Gao, R Wang, J Chen, JJ Tepe, F Huang, GW Wei Journal of Medicinal Chemistry 64 (23), 16922–16955, 2021 | 73 | 2021 |
| Unveiling the molecular mechanism of SARS-CoV-2 main protease inhibition from 137 crystal structures using algebraic topology and deep learning DD Nguyen, K Gao, J Chen, R Wang, GW Wei Chemical science 11 (44), 12036-12046, 2020 | 73 | 2020 |
| Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2 K Gao, R Wang, J Chen, L Cheng, J Frishcosy, Y Huzumi, Y Qiu, ... Chemical Reviews 122 (13), 11287-11368, 2022 | 59 | 2022 |
| Machine intelligence design of 2019-nCoV drugs K Gao, DD Nguyen, R Wang, GW Wei bioRxiv, 2020 | 53 | 2020 |
| Review of COVID-19 antibody therapies J Chen, K Gao, R Wang, DD Nguyen, GW Wei Annual review of biophysics 50 (1), 1-30, 2021 | 43 | 2021 |
| Binding enthalpy calculations for a neutral host–guest pair yield widely divergent salt effects across water models K Gao, J Yin, NM Henriksen, AT Fenley, MK Gilson Journal of chemical theory and computation 11 (10), 4555-4564, 2015 | 40 | 2015 |
| A kinetic model of multiple phenotypic states for breast cancer cells K Qiu, K Gao, L Yang, Z Zhang, R Wang, H Ma, Y Jia Scientific Reports 7 (1), 9890, 2017 | 22 | 2017 |
| Generative network complex (GNC) for drug discovery C Grow, K Gao, DD Nguyen, GW Wei Communications in information and systems 19 (3), 241, 2019 | 21 | 2019 |
| Proteome-informed machine learning studies of cocaine addiction K Gao, D Chen, AJ Robison, GW Wei The journal of physical chemistry letters 12 (45), 11122-11134, 2021 | 18 | 2021 |
| Machine learning analysis of cocaine addiction informed by DAT, SERT, and NET-based interactome networks H Feng, K Gao, D Chen, L Shen, AJ Robison, E Ellsworth, GW Wei Journal of chemical theory and computation 18 (4), 2703-2719, 2022 | 17 | 2022 |
Guo-Wei WeiMSU Foundation Professor, Mathematics, Biochemistry & Molecular Biology, Electrical & ComputerVerified email at msu.edu
