Calculating solvation energies by means of a fluctuating charge model combined with continuum solvent model

Journal of Chemical Physics

Volumn 134, Issue 19, 2011, Pages

  Zhao, Dong Xia ^a   Yu, Ling ^a   Gong, Li Dong ^a   Liu, Cui ^a   Yang, Zhong Zhi ^a  

^a LIAONING NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BIOCHEMISTRY; CHEMICAL BONDS; ELECTRONEGATIVITY; MOLECULES; PEPTIDES; SOLVATION; SOLVENTS;

AB INITIO; ATOMIC CHARGE; ATOMIC RADIUS; BIOCHEMICAL SYSTEMS; CONTINUUM SOLVENTS; CORRELATION COEFFICIENT; DI-PEPTIDES; ELECTRONEGATIVITY EQUALIZATION METHOD; FLUCTUATING CHARGE; FLUCTUATING CHARGE MODELS; MODEL CALCULATIONS; NEUTRAL MOLECULES; PARTIAL CHARGES; POISSON-BOLTZMANN; POLARIZATION EFFECT; PROTEIN FRAGMENTS; SOLVATION ENERGY; SOLVENT MODEL;

COMPUTER SIMULATION;

DIPEPTIDE; SOLVENT; WATER;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; PROTEIN CONFORMATION; SOLUBILITY; SOLUTION AND SOLUBILITY; STATIC ELECTRICITY; THERMODYNAMICS;

ALGORITHMS; DIPEPTIDES; MODELS, CHEMICAL; PROTEIN CONFORMATION; SOLUBILITY; SOLUTIONS; SOLVENTS; STATIC ELECTRICITY; THERMODYNAMICS; WATER;

EID: 79957608990     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3590718     Document Type: Article

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