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SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the α1+/γ2- Benzodiazepine Site.
Siebert, David C B; Wieder, Marcus; Schlener, Lydia; Scholze, Petra; Boresch, Stefan; Langer, Thierry; Schnürch, Michael; Mihovilovic, Marko D; Richter, Lars; Ernst, Margot; Ecker, Gerhard F.
Affiliation
  • Siebert DCB; Institute of Applied Synthetic Chemistry , TU Wien , Getreidemarkt 9/163 , 1060 Vienna , Austria.
  • Wieder M; Department of Pharmaceutical Chemistry , University of Vienna , Althanstrasse 14 , 1090 Vienna , Austria.
  • Schlener L; Faculty of Chemistry, Department of Computational Biological Chemistry , University of Vienna , Währingerstrasse 17 , 1090 Vienna , Austria.
  • Scholze P; Department of Pharmaceutical Chemistry , University of Vienna , Althanstrasse 14 , 1090 Vienna , Austria.
  • Boresch S; Department of Pathobiology of the Nervous System, Center for Brain Research , Medical University of Vienna , Spitalgasse 4 , 1090 Vienna , Austria.
  • Langer T; Faculty of Chemistry, Department of Computational Biological Chemistry , University of Vienna , Währingerstrasse 17 , 1090 Vienna , Austria.
  • Schnürch M; Department of Pharmaceutical Chemistry , University of Vienna , Althanstrasse 14 , 1090 Vienna , Austria.
  • Mihovilovic MD; Institute of Applied Synthetic Chemistry , TU Wien , Getreidemarkt 9/163 , 1060 Vienna , Austria.
  • Richter L; Institute of Applied Synthetic Chemistry , TU Wien , Getreidemarkt 9/163 , 1060 Vienna , Austria.
  • Ernst M; Department of Pharmaceutical Chemistry , University of Vienna , Althanstrasse 14 , 1090 Vienna , Austria.
  • Ecker GF; Department of Molecular Neurosciences, Center for Brain Research , Medical University of Vienna , Spitalgasse 4 , 1090 Vienna , Austria.
J Chem Inf Model ; 58(8): 1682-1696, 2018 08 27.
Article in En | MEDLINE | ID: mdl-30028134
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Pyrazoles / Receptors, GABA-A Type of study: Prognostic_studies Limits: Humans Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2018 Document type: Article Affiliation country: Austria Country of publication: United States
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Pyrazoles / Receptors, GABA-A Type of study: Prognostic_studies Limits: Humans Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2018 Document type: Article Affiliation country: Austria Country of publication: United States