Calculation of Proteins' Total Side-Chain Torsional Entropy and Its Influence on Protein-Ligand Interactions

Journal of Molecular Biology

Volumn 391, Issue 2, 2009, Pages 484-497

  DuBay, Kateri H ^a,b   Geissler, Phillip L ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

configurational entropy; protein thermodynamics; protein ligand binding; side chain entropy; side chain fluctuations

Indexed keywords

CALMODULIN; LIGAND; PROTEIN DERIVATIVE;

ARTICLE; BINDING AFFINITY; BIOPHYSICS; ENTROPY; HYDROGEN BOND; LIGAND BINDING; MATHEMATICAL COMPUTING; MOLECULAR MODEL; MONTE CARLO METHOD; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN INTERACTION; SOLVATION;

EID: 67650677848     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmb.2009.05.068     Document Type: Article

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