Combined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments

Proteins: Structure, Function and Bioinformatics

Volumn 78, Issue 16, 2010, Pages 3281-3291

  Vulpetti, Anna ^a   Schiering, Nikolaus ^a   Dalvit, Claudio ^a  

^a NOVARTIS PHARMA AG   (Switzerland)

Author keywords

19F NMR; Active site mapping; Fluorine; Fragment based screening; GRID; Pharmacophoric fingerprint

Indexed keywords

FLUORINE; SERINE PROTEINASE; TRYPSIN;

ARTICLE; CHEMISTRY; COMPUTATIONAL CHEMISTRY; FLUORINATION; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN INTERACTION; PROTEIN STRUCTURE; X RAY; X RAY CRYSTALLOGRAPHY;

ANIMALS; CATTLE; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; FLUORINE; FLUORINE COMPOUNDS; HALOGENATION; MAGNETIC RESONANCE SPECTROSCOPY; TRYPSIN;

EID: 78349294513     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.22836     Document Type: Article

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