Toward canonical ensemble distribution from self-guided Langevin dynamics simulation

Journal of Chemical Physics

Volumn 134, Issue 13, 2011, Pages

  Wu, Xiongwu ^a   Brooks, Bernard R ^a  

^a NATIONAL HEART LUNG AND BLOOD INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CANONICAL ENSEMBLE; CONFORMATIONAL DISTRIBUTION; CONFORMATIONAL SEARCH; GUIDING FORCES; HIGH FREQUENCY HF; HIGH-FREQUENCY PROPERTIES; LANGEVIN DYNAMICS; LOCAL AVERAGE; LOCAL AVERAGING; LOW FREQUENCY; LOW-FREQUENCY MOTION; MOLECULAR SYSTEMS; QUANTITATIVE DESCRIPTION; QUANTITATIVE RELATIONS;

MOLECULAR DYNAMICS;

ALANYLALANINE; ARGON; DIPEPTIDE;

ALGORITHM; ARTICLE; CHEMISTRY; CONFORMATION; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; THERMODYNAMICS;

ALGORITHMS; ARGON; DIPEPTIDES; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; THERMODYNAMICS;

EID: 79954473327     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3574397     Document Type: Article

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