The importance of excluded solvent volume effects in computing hydration free energies

Journal of Physical Chemistry B

Volumn 112, Issue 47, 2008, Pages 14863-14868

  Yang, Pei Kun ^a,c   Lim, Carmay ^a,b  

^a INSTITUTE OF BIOMEDICAL SCIENCES   (Taiwan)

^b NATIONAL TSING HUA UNIVERSITY   (Taiwan)

^c I SHOU UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

DISTRIBUTION FUNCTIONS; EXPERIMENTS; FREE ENERGY; FREE VOLUME; HYDRATION; IONIZATION OF LIQUIDS; MOLECULES; SOLVATION; SOLVENTS;

ADJUSTABLE PARAMETERS; ANALYTICAL FORMULAS; ANALYTICAL SOLUTIONS; BORN RADIUSES; BULK SOLVENTS; CONTINUUM DIELECTRIC METHODS; CONTINUUM SOLVENTS; ELECTRIC DIPOLES; ELECTROSTATIC COMPONENTS; GAUSS LAWS; HYDRATION FREE ENERGIES; HYDRATION NUMBERS; IONIC HYDRATIONS; MAXWELL'S EQUATIONS; MOLECULAR SIMULATIONS; PEAK POSITIONS; POLARIZABILITY; RADIAL DISTRIBUTION FUNCTIONS; SOLVATION FREE ENERGIES; SOLVENT MOLECULES; SOLVENT STRUCTURES; SOLVENT VOLUMES; WATER MOLECULES;

MAXWELL EQUATIONS;

EID: 57449119313     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp801960p     Document Type: Article

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