More than a Simple Lipophilic Contact: A Detailed Thermodynamic Analysis of Nonbasic Residues in the S1 Pocket of Thrombin

Journal of Molecular Biology

Volumn 390, Issue 1, 2009, Pages 56-69

  Baum, Bernhard ^a   Mohamed, Menshawy ^b   Zayed, Mohamed ^b   Gerlach, Christof ^a   Heine, Andreas ^a   Hangauer, David ^b   Klebe, Gerhard ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

^b UNIVERSITY AT BUFFALO   (United States)

Author keywords

chlorine interaction; residual ligand entropy; structure based drug design; thermodynamic driving forces; thrombin

Indexed keywords

THROMBIN; THROMBIN INHIBITOR;

ARTICLE; BINDING AFFINITY; CHEMICAL STRUCTURE; ENZYME BINDING; ENZYME KINETICS; ENZYME STRUCTURE; ISOTHERMAL TITRATION CALORIMETRY; LIPOPHILICITY; PRIORITY JOURNAL; SOLUBILITY; THERMODYNAMICS;

EID: 67349109896     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmb.2009.04.051     Document Type: Article

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