Parallel cascade selection molecular dynamics (PaCS-MD) to generate conformational transition pathway

Journal of Chemical Physics

Volumn 139, Issue 3, 2013, Pages

  Harada, Ryuhei ^a,b,c   Kitao, Akio ^a,b  

^a UNIVERSITY OF TOKYO   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c Center for Computational Science   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY;

CONFORMATIONAL TRANSITION PATHWAY; CONFORMATIONAL TRANSITIONS; FREE ENERGY LANDSCAPE; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; PRODUCT STRUCTURE; SIMULATED STRUCTURE; UMBRELLA SAMPLING;

MOLECULAR DYNAMICS;

CHIGNOLIN; LYSOZYME; OLIGOPEPTIDE; SOLVENT;

ARTICLE; BACTERIOPHAGE T4; CHEMISTRY; ENZYMOLOGY; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; PROTEIN FOLDING; THERMODYNAMICS; ENTEROBACTERIA PHAGE T4;

BACTERIOPHAGE T4; MOLECULAR DYNAMICS SIMULATION; MURAMIDASE; OLIGOPEPTIDES; PROTEIN CONFORMATION; PROTEIN FOLDING; SOLVENTS; THERMODYNAMICS;

EID: 84887537321     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4813023     Document Type: Article

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