| Reweighted autoencoded variational Bayes for enhanced sampling (RAVE) JML Ribeiro, P Bravo, Y Wang, P Tiwary The Journal of chemical physics 149 (7), 2018 | 269 | 2018 |
| Machine learning approaches for analyzing and enhancing molecular dynamics simulations Y Wang, JML Ribeiro, P Tiwary Current opinion in structural biology 61, 139-145, 2020 | 202 | 2020 |
| Past–future information bottleneck for sampling molecular reaction coordinate simultaneously with thermodynamics and kinetics Y Wang, JML Ribeiro, P Tiwary Nature communications 10 (1), 3573, 2019 | 131 | 2019 |
| Kinetics of ligand–protein dissociation from all-atom simulations: Are we there yet? JML Ribeiro, ST Tsai, D Pramanik, Y Wang, P Tiwary Biochemistry 58 (3), 156-165, 2018 | 43 | 2018 |
| Discovering protein conformational flexibility through artificial-intelligence-aided molecular dynamics Z Smith, P Ravindra, Y Wang, R Cooley, P Tiwary The Journal of Physical Chemistry B 124 (38), 8221-8229, 2020 | 24 | 2020 |
| From data to noise to data for mixing physics across temperatures with generative artificial intelligence Y Wang, L Herron, P Tiwary Proceedings of the National Academy of Sciences 119 (32), e2203656119, 2022 | 20 | 2022 |
| Confronting pitfalls of AI-augmented molecular dynamics using statistical physics S Pant, Z Smith, Y Wang, E Tajkhorshid, P Tiwary The Journal of Chemical Physics 153 (23), 2020 | 18 | 2020 |
| Interrogating RNA–small molecule interactions with structure probing and artificial intelligence-augmented molecular simulations Y Wang, S Parmar, JS Schneekloth, P Tiwary ACS Central Science 8 (6), 741-748, 2022 | 16 | 2022 |
| Understanding the role of predictive time delay and biased propagator in RAVE Y Wang, P Tiwary The Journal of Chemical Physics 152 (14), 2020 | 13 | 2020 |
| From latent dynamics to meaningful representations D Wang, Y Wang, L Evans, P Tiwary arXiv preprint arXiv:2209.00905, 2022 | 3 | 2022 |
| Mechanism of phosphate release from Actin filaments Y Wang, J Wu, V Zsolnay, TD Pollard, GA Voth bioRxiv, 2023 | 1 | 2023 |
| Introducing dynamical constraints into representation learning D Wang, Y Wang, L Evans, P Tiwary arXiv preprint arXiv 2209, 2022 | 1 | 2022 |
| Interrogating RNA-small molecule interactions with structure probing and AI augmented-molecular simulations Y Wang, S Parmar, JS Schneekloth Jr, P Tiwary bioRxiv, 2021.09. 28.462207, 2021 | 1 | 2021 |
| Investigating biomolecular rare events with artificial intelligence augmented molecular dynamics Y Wang University of Maryland, College Park, 2022 | | 2022 |
| Denoising diffusion probabilistic models for replica exchange Y Wang, P Tiwary arXiv preprint arXiv:2107.07369, 2021 | | 2021 |
Pratyush TiwaryMillard and Lee Alexander Professor in Chemical Physics, University of Maryland, College ParkVerified email at umd.edu
