SCOPUS 정보 검색 플랫폼

Journal of Computer-Aided Molecular Design

Volumn 14, Issue 8, 2000, Pages 787-803

Simple knowledge-based descriptors to predict protein-ligand interactions. Methodology and validation

(3) Nissink, J W M a Verdonk, M L b Klebe, G a

b CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE (United Kingdom)

Author keywords

Composite crystal field environments; Drug design; Hydrogen bonding; Hydrophobic effect; IsoStar database; Parametrisation of interaction geometries; Predicting protein ligand interaction; SuperStar

Indexed keywords

ATOMS; BINDING SITES; COMPLEXATION; DATABASE SYSTEMS; FORECASTING; GEOMETRY; HYDROGEN; HYDROGEN BONDS; HYDROPHOBICITY; KNOWLEDGE BASED SYSTEMS; PROBABILITY DISTRIBUTIONS; PROBES; PROTEINS;

COMPOSITE CRYSTAL; COMPOSITE CRYSTAL FIELD ENVIRONMENT; CRYSTAL FIELDS; DRUG DESIGN; HYDROPHOBIC EFFECT; INTERACTION GEOMETRIES; ISOSTAR DATABASE; PARAMETRIZATION OF INTERACTION GEOMETRY; PARAMETRIZATIONS; PREDICTING PROTEIN LIGAND INTERACTION; PROTEIN-LIGAND INTERACTIONS; SUPERSTAR;

LIGANDS;

ALCOHOL; AMMONIA; CARBON; CARBONYL DERIVATIVE; LIGAND; METHYL GROUP; NITROGEN; OXYGEN; PROTEIN; SOLVENT;

ARTICLE; ATOM; BINDING SITE; CALCULATION; CHEMICAL STRUCTURE; COMPLEX FORMATION; CONTROLLED STUDY; LIGAND BINDING; METHODOLOGY; MOLECULAR PROBE; PRIORITY JOURNAL; PROTEIN INTERACTION; VALIDATION PROCESS;

EID: 0033669857 PISSN: 0920654X EISSN: None Source Type: Journal
DOI: 10.1023/A:1008109717641 Document Type: Article

Times cited : (28)

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