Velocity-scaling optimized replica exchange molecular dynamics of proteins in a hybrid explicit/implicit solvent

Journal of Chemical Physics

Volumn 135, Issue 8, 2011, Pages

  Wang, Jinan ^a,b   Zhu, Weiliang ^a   Li, Guohui ^b   Hansmann, Ulrich H E ^c  

^a SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

^b DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^c MICHIGAN TECHNOLOGICAL UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EXPLICIT SOLVENTS; HYBRID METHOD; IMPLICIT SOLVENTS; REPLICA EXCHANGE; REPLICA EXCHANGE MOLECULAR DYNAMICS; RESCALING; TEST CASE; TRP-CAGE PROTEINS;

IMAGE QUALITY; MOLECULAR DYNAMICS; PROTEINS;

SOLVENTS;

PROTEIN; SOLVENT;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MOLECULAR DYNAMICS;

MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEINS; SOLVENTS;

EID: 80052393733     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3624401     Document Type: Article

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