Self-learning multiscale simulation for achieving high accuracy and high efficiency simultaneously

Journal of Chemical Physics

Volumn 130, Issue 21, 2009, Pages

  Li, Wenfei ^a   Takada, Shoji ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC MODELS; BIOMOLECULAR SYSTEM; COARSE-GRAINED; EFFICIENT SAMPLING; EXACT RESULTS; HIGH EFFICIENCY; MOLECULAR DYNAMICS SIMULATIONS; MULTI-SCALE SIMULATION; MULTISCALE; REPLICA EXCHANGE METHOD; SAMPLING EFFICIENCY; SELF-LEARNING; SIMULATION METHODS;

DYNAMICS; EDUCATION; MOLECULAR DYNAMICS; SYSTEMS ENGINEERING;

SIMULATORS;

ALANYL ALANYL ALANINE; ALANYL-ALANYL-ALANINE; OLIGOPEPTIDE;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; THERMODYNAMICS;

ALGORITHMS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OLIGOPEPTIDES; THERMODYNAMICS;

EID: 67249145514     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3146922     Document Type: Article

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