activity
20122020
most citedWeighted Ensemble Milestoning (WEM): A Combined Approach for Rare Event Simulations

41 citations · 79 across the 6 of their papers we have counts for

collaborators
Showing 2020 · physics.chem-phShow all

1 paper · 2 filters

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…