title: Addressing protein flexibility and ligand selectivity by "in situ cross-docking".
authors.affiliation: Department of Pharmaceutical Chemistry, Philipps-Universität Marburg, Marbacher Weg 6, 35032 Marburg, Germany.
authors.forename: Matthias
authors.initials: M
authors.lastname: Zentgraf
authors.forename: Jasmine
authors.initials: J
authors.lastname: Fokkens
authors.forename: Christoph A
authors.initials: CA
authors.lastname: Sotriffer
mesh_terms: D000449:Aldehyde Reductase / Q000037:antagonists & inhibitors / Q000737:chemistry*; D001665:Binding Sites; D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D008024:Ligands; D008958:Models, Molecular; D015394:Molecular Structure; D013237:Stereoisomerism; D013329:Structure-Activity Relationship; D013379:Substrate Specificity
chemical_list: D004791:Enzyme Inhibitors; D008024:Ligands; D000449:Aldehyde Reductase