Hydration of amino acid side chains: Nonpolar and electrostatic contributions calculated from staged molecular dynamics free energy simulations with explicit water molecules

Journal of Physical Chemistry B

Volumn 108, Issue 42, 2004, Pages 16567-16576

  Deng, Yuqing ^a   Roux, Benoît ^a  

^a WEILL CORNELL MEDICAL COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; ELECTROSTATICS; FREE ENERGY; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; THERMODYNAMICS; WATER;

FREE ENERGY PERTURBATION (FEP); INTERMOLECULAR FORCES; NONPOLAR CONTRIBUTION; SOLVATION;

AMINO ACIDS;

EID: 7544232432     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp048502c     Document Type: Article

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