BioGPS: Navigating biological space to predict polypharmacology, off-targeting, and selectivity

Proteins: Structure, Function and Bioinformatics

Volumn 83, Issue 3, 2015, Pages 517-532

  Siragusa, Lydia ^a   Cross, Simon ^b   Baroni, Massimo ^b   Goracci, Laura ^a   Cruciani, Gabriele ^a  

^a UNIVERSITY OF PERUGIA   (Italy)

^b Molecular Discovery Limited   (United Kingdom)

Author keywords

Clustering; Molecular interaction fields; Protein active sites; Protein pharmacophore; Protein protein comparison

Indexed keywords

MITOGEN ACTIVATED PROTEIN KINASE; MITOGEN ACTIVATED PROTEIN KINASE 1; MITOGEN ACTIVATED PROTEIN KINASE P38; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA; PROTEIN;

ARTICLE; BINDING SITE; CHEMOMETRICS; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; PHARMACOPHORE; POLYPHARMACOLOGY; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN FAMILY; PROTEIN FOLDING; PROTEIN STRUCTURE; ALGORITHM; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; CLUSTER ANALYSIS; COMPUTER PROGRAM; METABOLISM; PHARMACOLOGY; PROCEDURES; PROTEIN CONFORMATION; PROTEIN DATABASE; SEQUENCE ANALYSIS;

ALGORITHMS; BINDING SITES; CLUSTER ANALYSIS; COMPUTATIONAL BIOLOGY; DATABASES, PROTEIN; MODELS, MOLECULAR; PHARMACOLOGY; PROTEIN CONFORMATION; PROTEINS; SEQUENCE ANALYSIS, PROTEIN; SOFTWARE;

EID: 84922514823     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24753     Document Type: Article

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