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Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis.
Rechlin, Chris; Scheer, Frithjof; Terwesten, Felix; Wulsdorf, Tobias; Pol, Ewa; Fridh, Veronica; Toth, Philipp; Diederich, Wibke E; Heine, Andreas; Klebe, Gerhard.
Affiliation
  • Rechlin C; Institut für Pharmazeutische Chemie, Philipps-Universität Marburg , Marbacher Weg 6, D-35032 Marburg, Germany.
  • Scheer F; Institut für Pharmazeutische Chemie, Zentrum für Tumor- und Immunbiologie (ZTI), Philipps-Universität Marburg , Hans-Meerwein-Straße 3, 35043 Marburg, Germany.
  • Terwesten F; Institut für Pharmazeutische Chemie, Philipps-Universität Marburg , Marbacher Weg 6, D-35032 Marburg, Germany.
  • Wulsdorf T; Institut für Pharmazeutische Chemie, Philipps-Universität Marburg , Marbacher Weg 6, D-35032 Marburg, Germany.
  • Pol E; GE Healthcare Bio-Sciences AB , Björkgatan 30, SE-751 84 Uppsala, Sweden.
  • Fridh V; GE Healthcare Bio-Sciences AB , Björkgatan 30, SE-751 84 Uppsala, Sweden.
  • Toth P; Institut für Pharmazeutische Chemie, Zentrum für Tumor- und Immunbiologie (ZTI), Philipps-Universität Marburg , Hans-Meerwein-Straße 3, 35043 Marburg, Germany.
  • Diederich WE; Institut für Pharmazeutische Chemie, Zentrum für Tumor- und Immunbiologie (ZTI), Philipps-Universität Marburg , Hans-Meerwein-Straße 3, 35043 Marburg, Germany.
  • Heine A; Core Facility Medicinal Chemistry, Philipps-Universität Marburg , Hans-Meerwein-Straße 3, 35043 Marburg, Germany.
  • Klebe G; Institut für Pharmazeutische Chemie, Philipps-Universität Marburg , Marbacher Weg 6, D-35032 Marburg, Germany.
ACS Chem Biol ; 12(5): 1397-1415, 2017 05 19.
Article in En | MEDLINE | ID: mdl-28287700
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Models, Molecular / Aldehyde Reductase Type of study: Health_economic_evaluation Limits: Humans Language: En Journal: ACS Chem Biol Year: 2017 Type: Article Affiliation country: Germany
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Models, Molecular / Aldehyde Reductase Type of study: Health_economic_evaluation Limits: Humans Language: En Journal: ACS Chem Biol Year: 2017 Type: Article Affiliation country: Germany