Accelerated Discovery of Novel Benzodiazepine Ligands by Experiment-Guided Virtual Screening

High throughput discovery of ligand scaffolds for target proteins can accelerate development of leads and drug candidates enormously. Here we describe an innovative workflow for the discovery of high affinity ligands for the benzodiazepine-binding site on the so far not crystallized mammalian GABAA...

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Veröffentlicht in:ACS chemical biology 2014-08, Vol.9 (8), p.1854-1859
Hauptverfasser: Middendorp, Simon J, Puthenkalam, Roshan, Baur, Roland, Ernst, Margot, Sigel, Erwin
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Sprache:eng
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