Adaptive Landscape Flattening Accelerates Sampling of Alchemical Space in Multisite λ Dynamics
Hayes, Ryan L., Armacost, Kira A., Vilseck, Jonah Z., Brooks, Charles L.Volume:
121
Language:
english
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/acs.jpcb.6b09656
Date:
April, 2017
File:
PDF, 834 KB
english, 2017