Catalytic residues in hydrolases: Analysis of methods designed for ligand-binding site prediction

Journal of Computer-Aided Molecular Design

Volumn 25, Issue 2, 2011, Pages 117-133

  Prymula, Katarzyna ^a   Jadczyk, Tomasz ^b   Roterman, Irena ^a  

^a JAGIELLONIAN UNIVERSITY MEDICAL COLLEGE   (Poland)

^b AGH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Poland)

Author keywords

Active site; Hydrolase; Ligand binding site prediction; Receiver operating characteristic

Indexed keywords

CHAINS; FORECASTING; KNOWLEDGE BASED SYSTEMS; LEARNING SYSTEMS; LIGANDS;

ACTIVE SITE; BINDING SITE PREDICTIONS; CATALYTIC RESIDUE; CATALYTIC SITES; KNOWLEDGE BASED; LIGAND-BINDING SITE PREDICTION; LIGAND-BINDING SITES; PHYSICO-CHEMICALS; RECEIVER OPERATING CHARACTERISTICS; SECONDARY STRUCTURES;

HYDROLASES;

HYDROLASE;

ACCURACY; ARTICLE; BINDING SITE; BIOINFORMATICS; COMPUTER PREDICTION; COMPUTER PROGRAM; CONTROLLED STUDY; ENZYME ACTIVE SITE; GEOMETRY; INTERMETHOD COMPARISON; LIGAND BINDING; MACHINE LEARNING; MOLECULAR SIZE; PHYSICOCHEMICAL MODEL; PRIORITY JOURNAL; PROTEIN SECONDARY STRUCTURE; RECEIVER OPERATING CHARACTERISTIC;

EID: 79951678677     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-010-9402-0     Document Type: Article

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