State predictive information bottleneck D Wang, P Tiwary The Journal of Chemical Physics 154 (13), 2021 | 70 | 2021 |
Alphafold2-rave: From sequence to boltzmann ranking BP Vani, A Aranganathan, D Wang, P Tiwary Journal of chemical theory and computation 19 (14), 4351-4354, 2023 | 45* | 2023 |
Accelerating all-atom simulations and gaining mechanistic understanding of biophysical systems through state predictive information bottleneck S Mehdi, D Wang, S Pant, P Tiwary Journal of chemical theory and computation 18 (5), 3231-3238, 2022 | 35 | 2022 |
Influence of long-range forces on the transition states and dynamics of NaCl ion-pair dissociation in water D Wang, R Zhao, JD Weeks, P Tiwary The Journal of Physical Chemistry B 126 (2), 545-551, 2022 | 11 | 2022 |
Critical slowing down and attractive manifold: A mechanism for dynamic robustness in the yeast cell-cycle process Y Zhao, D Wang, Z Zhang, Y Lu, X Yang, Q Ouyang, C Tang, F Li Physical Review E 101 (4), 042405, 2020 | 6 | 2020 |
From latent dynamics to meaningful representations D Wang, Y Wang, L Evans, P Tiwary Journal of Chemical Theory and Computation 20 (9), 3503-3513, 2024 | 5* | 2024 |
Calculating protein-ligand residence times through state predictive information bottleneck based enhanced sampling S Lee, D Wang, MA Seeliger, P Tiwary bioRxiv, 2024 | 1 | 2024 |
Unraveling drug dissociation kinetics through state predictive information bottleneck-based enhanced sampling S Lee, D Wang, P Tiwary Biophysical Journal 123 (3), 550a, 2024 | 1 | 2024 |
Augmenting Human Expertise in Weighted Ensemble Simulations through Deep Learning based Information Bottleneck D Wang, P Tiwary arXiv preprint arXiv:2406.14839, 2024 | | 2024 |
Information Bottleneck Approach for Markov Model Construction D Wang, Y Qiu, ER Beyerle, X Huang, P Tiwary Journal of Chemical Theory and Computation, 2024 | | 2024 |
Analyzing and enhancing protein dynamics with artificial intelligence D Wang, P Tiwary Biophysical Journal 123 (3), 429a, 2024 | | 2024 |