Calculation of the free energy of solvation for neutral analogs of amino acid side chains

Journal of Computational Chemistry

Volumn 23, Issue 5, 2002, Pages 548-553

  Villa, Alessandra ^a   Mark, Alan E ^a  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

Author keywords

Amino acid analogs; Free energy calculations; GROMACS; GROMOS96 force field; Partition constants

Indexed keywords

AMINO ACID; CHLOROFORM; CYCLOHEXANE DERIVATIVE; HYDROCARBON; SOLVENT; WATER;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ENERGY TRANSFER; THERMODYNAMICS;

ALGORITHMS; AMINO ACIDS; CHLOROFORM; COMPUTER SIMULATION; CYCLOHEXANES; ENERGY TRANSFER; HYDROCARBONS; MODELS, CHEMICAL; SOLVENTS; THERMODYNAMICS; WATER;

EID: 0037089015     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10052     Document Type: Article

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