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Yihang Wang
Yihang Wang
University of Chicago
Verifisert e-postadresse på uchicago.edu - Startside
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Reweighted autoencoded variational Bayes for enhanced sampling (RAVE)
JML Ribeiro, P Bravo, Y Wang, P Tiwary
The Journal of chemical physics 149 (7), 2018
3062018
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
2612020
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
1692019
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
482018
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
392022
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
262022
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
262020
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
222020
Understanding the role of predictive time delay and biased propagator in RAVE
Y Wang, P Tiwary
The Journal of Chemical Physics 152 (14), 2020
172020
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
132024
Mechanism of phosphate release from actin filaments
Y Wang, J Wu, V Zsolnay, TD Pollard, GA Voth
Proceedings of the National Academy of Sciences 121 (29), e2408156121, 2024
62024
Introducing dynamical constraints into representation learning
D Wang, Y Wang, L Evans, P Tiwary
arXiv preprint arXiv: 2209.00905, 2022
22022
Data-driven equation-free dynamics applied to many-protein complexes: The microtubule tip relaxation
J Wu, S Dasetty, D Beckett, Y Wang, W Xue, T Skóra, TC Bidone, ...
Biophysical Journal, 2025
12025
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Artikler 1–13