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Journal of Molecular Graphics and Modelling

Volumn 18, Issue 3, 2000, Pages

A method for including protein flexibility in protein-ligand docking: Improving tools for database mining and virtual screening

(1) Broughton, Howard B a

a NEUROSCIENCE RESEARCH CENTRE (United Kingdom)

Author keywords

Cyclooxygenase; Database search; Dihydrofolate reductase; Docking; Flexible; Molecular dynamics; Prostaglandin H2 synthase; Rank order

Indexed keywords

DATABASE SYSTEMS; PROTEINS; SCREENING; SOLVENTS; CHEMICAL BONDS; COMPUTER SIMULATION; CONFORMATIONS; DATA MINING; MOLECULAR STRUCTURE; STATISTICAL METHODS; VIRTUAL REALITY;

FREE ENERGY PERTURBATION; PROTEIN-LIGAND DOCKING; SHORT-RUN PROTEIN MOLECULAR DYNAMICS;

MOLECULAR GRAPHICS; MOLECULAR DYNAMICS;

CYCLOOXYGENASE 2 INHIBITOR; DIHYDROFOLATE REDUCTASE; DOCKING PROTEIN; LIGAND;

ARTICLE; DATA BASE; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN INTERACTION; PROTEIN STRUCTURE; SIMULATION; STATISTICAL ANALYSIS; VIRTUAL REALITY;

CYCLOOXYGENASE; DATABASE MINING; DIHYDROFOLATE REDUCTASE; LIGANDS; PROTEIN FLEXIBILITY; VIRTUAL SCREENING;

EID: 0034465217 PISSN: 10933263 EISSN: None Source Type: Journal
DOI: 10.1016/S1093-3263(00)00036-X Document Type: Article

Times cited : (93)

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