Computational approach to site-directed ligand discovery

Proteins: Structure, Function and Genetics

Volumn 68, Issue 2, 2007, Pages 551-560

  Tóth, Gergely ^a,e   Mukhyala, Kiran ^a,c   Wells, James A ^b,d  

^a Locus Pharmaceuticals   (United States)

^b Sunesis Pharmaceuticals Inc   (United States)

^c GENENTECH INC   (United States)

^d UNIVERSITY OF CALIFORNIA   (United States)

^e ELAN PHARMACEUTICALS   (United States)

Author keywords

Clustering; Fragment screening; Fragment based lead discovery; Induced fit; Molecular dynamics; Protein ligand interaction; Protein protein interaction; SCI FI; Structure based drug design; Tethering

Indexed keywords

INTERLEUKIN 2; INTERLEUKIN 4; LIGAND;

ARTICLE; BINDING SITE; COMPUTER PROGRAM; CONFORMATIONAL TRANSITION; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; PROTEIN STRUCTURE; SYSTEMATIC CONFORMATIONAL SEARCH AND INDUCED FIT; VALIDATION PROCESS;

AMINO ACID SUBSTITUTION; BINDING SITES; INTERLEUKIN-2; INTERLEUKIN-4; KINETICS; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PEPTIDE FRAGMENTS; PROTEIN BINDING;

EID: 34250818198     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.21402     Document Type: Article

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