Open AccessTIGER2 with solvent energy averaging (TIGER2A): An accelerated sampling method for large molecular systems with explicit representation of solvent
Author(s) -
Xianfeng Li,
James A. Snyder,
Steven J. Stuart,
Robert A. Latour
Publication year - 2015
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4932341
Subject(s) - solvation , sampling (signal processing) , molecular dynamics , umbrella sampling , statistical physics , biological system , chemistry , representation (politics) , energy (signal processing) , maxima and minima , computer science , computational chemistry , solvent , algorithm , mathematics , physics , statistics , mathematical analysis , detector , telecommunications , organic chemistry , politics , political science , law , biology
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