| Calculating Protein–Ligand Residence Times through State Predictive Information Bottleneck Based Enhanced Sampling S Lee, D Wang, MA Seeliger, P Tiwary Journal of Chemical Theory and Computation 20 (14), 6341-6349, 2024 | 9* | 2024 |
| Information flow through U-Nets S Lee, IV Bajić 2021 IEEE 18th International Symposium on Biomedical Imaging (ISBI), 812-816, 2021 | 8* | 2021 |
| Learning high-dimensional reaction coordinates of fast-folding proteins using State Predictive Information Bottleneck and Bias Exchange Metadynamics N Pomarici, S Mehdi, P Quoika, S Lee, JR Loeffler, K Liedl, P Tiwary, ... bioRxiv, 2023.07. 24.550401, 2023 | 3 | 2023 |
| Generative artificial intelligence for computational chemistry: a roadmap to predicting emergent phenomena P Tiwary, L Herron, R John, S Lee, D Sanwal, R Wang arXiv preprint arXiv:2409.03118, 2024 | 2 | 2024 |
| Modeling selectivity of antimicrobial peptides: how it depends on the presence of host cells and cell density S Lee, BR Schefter, S Taheri-Araghi, BY Ha RSC advances 13 (48), 34167-34182, 2023 | | 2023 |
| Modeling the Interactions of Antimicrobial Peptides with Cell Membranes S Lee University of Waterloo, 2022 | | 2022 |
