Publications

Mingyuan Zhang, Yong Wang, Bettina G. Keller and Hao Wu. “π-Girsanov: A Generalized Method to Construct Markov State Models from Non-Equilibrium and Multiensemble Biased Simulations” Under review.

Mingyuan Zhang, Hao Wu, and Yong Wang. “Enhanced Sampling of Biomolecular Slow Conformational Transitions Using Adaptive Sampling and Machine Learning.” Journal of Chemical Theory and Computation (2024).

Mingyuan Zhang, Zhicheng Zhang, Yong Wang, and Hao Wu. “Flow Matching for Optimal Reaction Coordinates of Biomolecular System.” Journal of Chemical Theory and Computation (2024).

Lijun Shi, Chenguang Yang, Mingyuan Zhang, Kangning Li, Keying Wang, Li Jiao, Ruming Liu et al. “Dissecting the mechanism of atlastin-mediated homotypic membrane fusion at the single-molecule level.” Nature Communications 15, no. 1 (2024): 2488.