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Combined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments
Authors:Vulpetti Anna  Schiering Nikolaus  Dalvit Claudio
Affiliation:Global Chemistry Discovery, Novartis Institutes for Biomedical Research, CH-4002 Basel, Switzerland. anna.vulpetti@novartis.com
Abstract:
Keywords:fragment‐based screening  fluorine  19F NMR  active site mapping  pharmacophoric fingerprint  GRID
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