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20192023
most citedRare Event Kinetics from Adaptive Bias Enhanced Sampling

84 citations · 202 across the 5 of their papers we have counts for

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physics.chem-ph2020★ 19 cited

Kinetics and Free Energy of Ligand Dissociation Using Weighted Ensemble Milestoning

Dhiman Ray, Trevor Gokey, David L. Mobley +1

We consider the recently developed weighted ensemble milestoning (WEM) scheme [J. Chem. Phys. 152, 234114 (2020)], and test its capability of simulating ligand-receptor dissociatio…