Rapid estimation of hydration thermodynamics of macromolecular regions

Journal of Chemical Physics

Volumn 139, Issue 5, 2013, Pages

  Raman, E Prabhu ^a   MacKerell Jr , Alexander D ^a  

^a UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EFFICIENT PREDICTIONS; FREE ENERGY OF HYDRATION; FREE ENERGY PERTURBATION; GRAND CANONICAL ENSEMBLE; HYDRATION THERMODYNAMICS; MOLECULAR DYNAMICS SIMULATIONS; WATER CONFIGURATION; WATER DISPLACEMENT;

FREE ENERGY; HYDRATION; MOLECULAR DYNAMICS; MONTE CARLO METHODS; THERMODYNAMICS;

MACROMOLECULES;

MACROMOLECULE; WATER;

CHEMISTRY; MACROMOLECULE; MOLECULAR DYNAMICS; MONTE CARLO METHOD; THERMODYNAMICS; ARTICLE;

MACROMOLECULAR SUBSTANCES; MOLECULAR DYNAMICS SIMULATION; MONTE CARLO METHOD; THERMODYNAMICS; WATER;

EID: 84882276002     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4817344     Document Type: Article

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