Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins

Journal of Chemical Physics

Volumn 119, Issue 11, 2003, Pages 5740-5761

  Shirts, Michael R ^a   Pitera, Jed W ^b   Swope, William C ^b   Pande, Vijay S ^a  

^a STANFORD UNIVERSITY   (United States)

^b IBM ALMADEN RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; COMPUTER SIMULATION; FREE ENERGY; HYDRATION; MOLECULAR DYNAMICS; STATISTICAL METHODS;

THERMODYNAMICS INTEGRATION;

PROTEINS;

EID: 0141990949     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1587119     Document Type: Article

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