Spatial decomposition of solvation free energy based on the 3D integral equation theory of molecular liquid: Application to miniproteins

Journal of Physical Chemistry B

Volumn 115, Issue 2, 2011, Pages 310-318

  Yamazaki, Takeshi ^a   Kovalenko, Andriy ^a,b  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^b UNIVERSITY OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; DISTRIBUTION FUNCTIONS; FREE ENERGY; FUNCTIONAL GROUPS; MACROMOLECULES; PROTEINS; SOLVATION; THERMODYNAMICS; THREE DIMENSIONAL; VAN DER WAALS FORCES;

1-OCTANOL; 3-D SPACE; AMINO ACID RESIDUES; ATOMIC LEVELS; ATOMISTIC RESOLUTION; CHIGNOLIN; CONFORMATIONAL CHANGE; DIRECT CORRELATION FUNCTIONS; ELEMENTARY VOLUME; EXCLUDED VOLUME; EXPERIMENTAL MEASUREMENTS; EXPERIMENTAL VALUES; INTEGRAL-EQUATION THEORY; MINI-PROTEINS; MOLECULAR LIQUIDS; PROTEIN MOLECULES; PROTEIN THERMODYNAMICS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS; SOLUTE PROPERTIES; SOLVATION ENTROPY; SOLVATION FREE ENERGIES; SOLVATION SHELL; SOLVATION THERMODYNAMICS; SPATIAL DECOMPOSITIONS; THERMODYNAMIC QUANTITIES; VAN DER WAALS;

INTEGRAL EQUATIONS;

EID: 78651424433     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp1082938     Document Type: Article

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