Hydration free energies of amino acids: Why side chain analog data are not enough

Journal of Physical Chemistry B

Volumn 113, Issue 26, 2009, Pages 8967-8974

  König, Gerhard ^a   Boresch, Stefan ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

AMINATION; AMINES; AMINO ACIDS; AROMATIC HYDROCARBONS; DYNAMICS; FREE ENERGY; FUNCTIONAL GROUPS; MOLECULAR DYNAMICS; ORGANIC ACIDS; PROTEINS; SOLVATION;

ABSOLUTE NUMBER; EXPLICIT SOLVENTS; FREE ENERGY SIMULATIONS; GASPHASE; GENERALIZED BORN MODELS; GROUP ADDITIVITY; HYDRATION FREE ENERGIES; HYDROPHOBICITY SCALE; IMPLICIT SOLVENT MODEL; MODEL COMPOUND; POLAR AMINO ACIDS; POLAR FUNCTIONAL GROUPS; SIDE CHAINS; SOLUTE-SOLVENT INTERACTION; SOLVATION FREE ENERGIES;

SOLVENTS;

EID: 67649458222     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp902638y     Document Type: Article

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