Computing conformational free energy by deactivated morphing

Journal of Chemical Physics

Volumn 129, Issue 13, 2008, Pages

  Park, Sanghyun ^a   Lau, Albert Y ^b   Roux, Benòt ^a,b  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; MOLECULAR BIOLOGY; OBJECT RECOGNITION;

CONFORMATIONAL CHANGES; CONFORMATIONAL FREE-ENERGY; EFFICIENT COMPUTATION; FREE-ENERGY DIFFERENCE; GENERAL METHOD; MORPHING;

FREE ENERGY;

ALANINE; DIPEPTIDE; WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; PROTEIN SECONDARY STRUCTURE; THERMODYNAMICS;

ALANINE; DIPEPTIDES; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN STRUCTURE, SECONDARY; THERMODYNAMICS; WATER;

EID: 53449099402     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2982170     Document Type: Article

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