MuSTAR MD: Multi-scale sampling using temperature accelerated and replica exchange molecular dynamics

Journal of Chemical Physics

Volumn 139, Issue 14, 2013, Pages

  Yamamori, Yu ^a   Kitao, Akio ^a,b  

^a UNIVERSITY OF TOKYO   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACCELERATED MOLECULAR DYNAMICS; COARSE GRAINED MODELS; COLLECTIVE VARIABLES; CONFORMATIONAL SAMPLINGS; CONFORMATIONAL SPACE; FREE ENERGY LANDSCAPE; REPLICA EXCHANGE MOLECULAR DYNAMICS; SAMPLING EFFICIENCY;

FREE ENERGY;

MOLECULAR DYNAMICS;

PEPTIDE; SOLVENT;

CHEMISTRY; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; TEMPERATURE; ARTICLE;

MOLECULAR DYNAMICS SIMULATION; PEPTIDES; PROTEIN CONFORMATION; SOLVENTS; TEMPERATURE;

EID: 84886941989     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4823743     Document Type: Article

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