Free energies of hydration from a generalized born model and an all-atom force field

Journal of Physical Chemistry B

Volumn 108, Issue 41, 2004, Pages 16264-16270

  Jorgensen, William L ^a   Ulmschneider, Jakob P ^a   Tirado Rives, Julian ^a  

^a YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC CHARGES; MACROMOLECULAR SYSTEMS; MOLECULAR DYNAMICS (MD) SIMULATIONS; SURFACE AREAS;

ACETONITRILE; COMPUTER SIMULATION; CONFORMATIONS; CONTINUUM MECHANICS; FREE ENERGY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; POISSON DISTRIBUTION;

HYDRATION;

EID: 7044260905     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0484579     Document Type: Article

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