Ball-and-Stick Local Elevation Umbrella Sampling: Molecular Simulations Involving Enhanced Sampling within Conformational or Alchemical Subspaces of Low Internal Dimensionalities, Minimal Irrelevant Volumes, and Problem-Adapted Geometries

标题
Ball-and-Stick Local Elevation Umbrella Sampling: Molecular Simulations Involving Enhanced Sampling within Conformational or Alchemical Subspaces of Low Internal Dimensionalities, Minimal Irrelevant Volumes, and Problem-Adapted Geometries
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 6, Issue 9, Pages 2622-2646
出版商
American Chemical Society (ACS)
发表日期
2010-08-27
DOI
10.1021/ct1003065

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