Coarse molecular dynamics of a peptide fragment: Free energy, kinetics, and long-time dynamics computations

Journal of Chemical Physics

Volumn 118, Issue 23, 2003, Pages 10762-10773

  Hummer, Gerhard ^a   Kevrekidis, Ioannis G ^b  

^a NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES   (United States)

^b Princeton University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; DIFFERENTIAL EQUATIONS; EIGENVALUES AND EIGENFUNCTIONS; INTEGRAL EQUATIONS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PROBABILITY DISTRIBUTIONS; PROTEINS; THERMODYNAMICS; WATER;

COARSE MOLECULAR DYNAMICS; CONFORMATIONAL DYNAMICS; FREE ENERGY SURFACE; MOLECULAR COLLISIONS; PEPTIDE;

MOLECULAR DYNAMICS;

EID: 0037865691     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1574777     Document Type: Article

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