Comparison of volume and surface area nonpolar solvation free energy terms for implicit solvent simulations

Journal of Chemical Physics

Volumn 139, Issue 4, 2013, Pages

  Lee, Michael S ^a,b   Olson, Mark A ^b  

^a U S ARMY RESEARCH LABORATORY   (United States)

^b UNITED STATES ARMY MEDICAL RESEARCH INSTITUTE OF INFECTIOUS DISEASES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISPERSION FORCE; ENERGY LANDSCAPE; EXPLICIT SOLVENTS; IMPLICIT SOLVENT MODEL; IMPLICIT SOLVENTS; MOLECULAR DYNAMICS SIMULATIONS; PROTEIN CONFORMATION; SOLVATION FREE ENERGIES;

CAVITATION; DISPERSIONS; FREE ENERGY; MOLECULAR DYNAMICS; PROTEINS; SOLVATION;

SOLVENTS;

CHIGNOLIN; OLIGOPEPTIDE; SOLVENT;

ARTICLE; CHEMISTRY; COMPUTER SIMULATION; MOLECULAR DYNAMICS; PARTICLE SIZE; PROTEIN FOLDING; SURFACE PROPERTY; THERMODYNAMICS;

COMPUTER SIMULATION; MOLECULAR DYNAMICS SIMULATION; OLIGOPEPTIDES; PARTICLE SIZE; PROTEIN FOLDING; SOLVENTS; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 84881644368     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4816641     Document Type: Article

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