Addressing protein flexibility and ligand selectivity by "in situ cross-docking".
Zentgraf
Matthias
M
Department of Pharmaceutical Chemistry, Philipps-Universität Marburg, Marbacher Weg 6, 35032 Marburg, Germany.
Fokkens
Jasmine
J
Sotriffer
Christoph A
CA
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
D004791:Enzyme Inhibitors; D008024:Ligands; D000449:Aldehyde Reductase