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Yihang Wang
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Year
Reweighted autoencoded variational Bayes for enhanced sampling (RAVE)
JML Ribeiro, P Bravo, Y Wang, P Tiwary
The Journal of chemical physics 149 (7), 072301, 2018
1642018
Past–future information bottleneck for sampling molecular reaction coordinate simultaneously with thermodynamics and kinetics
Y Wang, JML Ribeiro, P Tiwary
Nature communications 10 (1), 1-8, 2019
1262019
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
932020
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
312018
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), 234118, 2020
132020
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
122020
Understanding the role of predictive time delay and biased propagator in RAVE
Y Wang, P Tiwary
The Journal of Chemical Physics 152 (14), 144102, 2020
82020
Interrogating RNA-small molecule interactions with structure probing and AI augmented-molecular simulations
Y Wang, S Parmar, JS Schneekloth, P Tiwary
bioRxiv, 2021
12021
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, 2022
2022
Denoising diffusion probabilistic models for replica exchange
Y Wang, P Tiwary
arXiv preprint arXiv:2107.07369, 2021
2021
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Articles 1–10