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UFSRAT: Ultra-fast Shape Recognition with Atom Types--the discovery of novel bioactive small molecular scaffolds for FKBP12 and 11ßHSD1.
Shave, Steven; Blackburn, Elizabeth A; Adie, Jillian; Houston, Douglas R; Auer, Manfred; Webster, Scott P; Taylor, Paul; Walkinshaw, Malcolm D.
Affiliation
  • Shave S; Centre for Translational and Chemical Biology, University of Edinburgh, Edinburgh, United Kingdom.
  • Blackburn EA; Centre for Translational and Chemical Biology, University of Edinburgh, Edinburgh, United Kingdom.
  • Adie J; Centre for Translational and Chemical Biology, University of Edinburgh, Edinburgh, United Kingdom.
  • Houston DR; Centre for Translational and Chemical Biology, University of Edinburgh, Edinburgh, United Kingdom.
  • Auer M; Centre for Translational and Chemical Biology, University of Edinburgh, Edinburgh, United Kingdom.
  • Webster SP; University/BHF Centre for Cardiovascular Science, The Queen's Medical Research Institute, University of Edinburgh, Edinburgh, United Kingdom.
  • Taylor P; Centre for Translational and Chemical Biology, University of Edinburgh, Edinburgh, United Kingdom.
  • Walkinshaw MD; Centre for Translational and Chemical Biology, University of Edinburgh, Edinburgh, United Kingdom.
PLoS One ; 10(2): e0116570, 2015.
Article in En | MEDLINE | ID: mdl-25659145
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Algorithms / Computer Simulation / Tacrolimus Binding Protein 1A / 11-beta-Hydroxysteroid Dehydrogenase Type 1 / Enzyme Inhibitors / Molecular Docking Simulation Type of study: Prognostic_studies Limits: Humans Language: En Journal: PLoS One Journal subject: CIENCIA / MEDICINA Year: 2015 Document type: Article Affiliation country: United kingdom Country of publication: United States
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Algorithms / Computer Simulation / Tacrolimus Binding Protein 1A / 11-beta-Hydroxysteroid Dehydrogenase Type 1 / Enzyme Inhibitors / Molecular Docking Simulation Type of study: Prognostic_studies Limits: Humans Language: En Journal: PLoS One Journal subject: CIENCIA / MEDICINA Year: 2015 Document type: Article Affiliation country: United kingdom Country of publication: United States