| 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 | 234 | 2021 |
| AGL-score: algebraic graph learning score for protein–ligand binding scoring, ranking, docking, and screening DD Nguyen, GW Wei Journal of chemical information and modeling 59 (7), 3291-3304, 2019 | 210 | 2019 |
| Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges DD Nguyen, Z Cang, K Wu, M Wang, Y Cao, GW Wei Journal of computer-aided molecular design 33, 71-82, 2019 | 169 | 2019 |
| Persistent spectral graph R Wang, DD Nguyen, GW Wei International journal for numerical methods in biomedical engineering 36 (9 …, 2020 | 127 | 2020 |
| 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 | 125 | 2020 |
| 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 | 109 | 2020 |
| Rigidity strengthening: A mechanism for protein–ligand binding DD Nguyen, T Xiao, M Wang, GW Wei Journal of chemical information and modeling 57 (7), 1715-1721, 2017 | 109 | 2017 |
| 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 | 102 | 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 | 100 | 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 | 100 | 2020 |
| A review of mathematical representations of biomolecular data DD Nguyen, Z Cang, GW Wei Physical Chemistry Chemical Physics 22 (8), 4343-4367, 2020 | 97 | 2020 |
| DG‐GL: Differential geometry‐based geometric learning of molecular datasets DD Nguyen, GW Wei International journal for numerical methods in biomedical engineering 35 (3 …, 2019 | 77 | 2019 |
| 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 | 76 | 2020 |
| Potentially highly potent drugs for 2019-nCoV DD Nguyen, K Gao, J Chen, R Wang, GW Wei BioRxiv, 2020.02. 05.936013, 2020 | 62 | 2020 |
| Accurate, robust, and reliable calculations of Poisson–Boltzmann binding energies DD Nguyen, B Wang, GW Wei Journal of computational chemistry 38 (13), 941-948, 2017 | 48 | 2017 |
| Machine intelligence design of 2019-nCoV drugs K Gao, DD Nguyen, R Wang, GW Wei BioRxiv, 2020 | 47 | 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 | 42 | 2021 |
| System and methods for machine learning for drug design and discovery G Wei, D Nguyen, Z Cang US Patent App. 16/372,239, 2019 | 39 | 2019 |
| Feature functional theory–binding predictor (FFT–BP) for the blind prediction of binding free energies B Wang, Z Zhao, DD Nguyen, GW Wei Theoretical Chemistry Accounts 136, 1-22, 2017 | 39 | 2017 |
| Generalized flexibility-rigidity index DD Nguyen, K Xia, GW Wei The Journal of chemical physics 144 (23), 2016 | 37 | 2016 |
Guo-Wei WeiMSU Foundation Professor, Mathematics, Biochemistry & Molecular Biology, Electrical & Computer在 msu.edu 的电子邮件经过验证
