Tracing the detail: How mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors

Journal of Molecular Biology

Volumn 406, Issue 5, 2011, Pages 700-712

  Koch, Cornelia ^a   Heine, Andreas ^a   Klebe, Gerhard ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

aldose reductase; binding site mutations; drug design; high resolution X ray structure; protein ligand interaction

Indexed keywords

ALANINE; ALDOSE REDUCTASE INHIBITOR; BROMINE; CYSTEINE; HALOGEN; LIGAND; MUTANT PROTEIN; SERINE; THREONINE; VALINE;

ARTICLE; CHEMICAL BOND; ENTHALPY; ENTROPY; ISOTHERMAL TITRATION CALORIMETRY; LIGAND BINDING; MOLECULAR INTERACTION; MOLECULAR RECOGNITION; MUTATION; PRIORITY JOURNAL; THERMODYNAMICS; WILD TYPE; X RAY CRYSTALLOGRAPHY;

EID: 79951771720     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmb.2010.11.058     Document Type: Article

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