Scalable free energy calculation of proteins via multiscale essential sampling

Journal of Chemical Physics

Volumn 133, Issue 22, 2010, Pages

  Moritsugu, Kei ^a   Terada, Tohru ^a,b   Kidera, Akinori ^a,c  

^a RIKEN   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

^c YOKOHAMA CITY UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHIGNOLIN; CONTINUUM SOLVENTS; COUPLING TERMS; DEGREES OF FREEDOM; DIMENSIONAL MODEL; DIMENSIONAL SPACES; EXPLICIT SOLVENTS; FOLDING PROCESS; FREE ENERGY SURFACE; FREE-ENERGY CALCULATIONS; MULTI-SCALE SIMULATION METHOD; MULTICANONICAL SIMULATIONS; MULTISCALES; TEST APPLICATIONS;

HAMILTONIANS; MECHANICS; SCALABILITY;

FREE ENERGY;

CHIGNOLIN; OLIGOPEPTIDE; SOLVENT;

ARTICLE; CHEMISTRY; MOLECULAR DYNAMICS; PROTEIN FOLDING; PROTEIN SECONDARY STRUCTURE; THERMODYNAMICS;

MOLECULAR DYNAMICS SIMULATION; OLIGOPEPTIDES; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; SOLVENTS; THERMODYNAMICS;

EID: 78650341784     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3510519     Document Type: Article

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