Informatics and modeling challenges in fragment-based drug discovery

Current Opinion in Drug Discovery and Development

Volumn 10, Issue 3, 2007, Pages 289-297

  Hubbard, Roderick E ^a,b   Chen, Ijen ^b   Davis, Ben ^b  

^a UNIVERSITY OF YORK   (United Kingdom)

^b Vernalis PLC   (United Kingdom)

Author keywords

Fragment based discovery; Fragments; NMR; SAR by NMR; Structure based drug discovery

Indexed keywords

BETA LACTAMASE INHIBITOR; GYRASE INHIBITOR; MITOGEN ACTIVATED PROTEIN KINASE INHIBITOR; MITOGEN ACTIVATED PROTEIN KINASE P38 INHIBITOR; MUTANT PROTEIN; PHOSPHODIESTERASE IV INHIBITOR; PROTEIN BCL XL; PROTEIN INHIBITOR; PROTEINASE INHIBITOR; THROMBIN;

BINDING AFFINITY; BINDING SITE; CRYSTAL STRUCTURE; DRUG BINDING; DRUG DESIGN; DRUG INDICATION; DRUG RESEARCH; DRUG SCREENING; DRUG STRUCTURE; ELECTRICITY; HIGH THROUGHPUT SCREENING; LIGAND BINDING; MASS SPECTROMETRY; METHODOLOGY; MOLECULAR MODEL; MOLECULAR WEIGHT; MONTE CARLO METHOD; NUCLEAR MAGNETIC RESONANCE; PHYSICAL CHEMISTRY; PROTEIN PROTEIN INTERACTION; REVIEW; STRUCTURE ACTIVITY RELATION; SURFACE PLASMON RESONANCE; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

BINDING SITES; COMBINATORIAL CHEMISTRY TECHNIQUES; COMPUTER SIMULATION; DRUG DESIGN; INFORMATICS; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MOLECULAR WEIGHT; PHARMACEUTICAL PREPARATIONS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; STRUCTURE-ACTIVITY RELATIONSHIP; TECHNOLOGY, PHARMACEUTICAL;

EID: 34249094150     PISSN: 13676733     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Review

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