Flexible docking using Tabu search and an empirical estimate of binding affinity

Proteins: Structure, Function and Genetics

Volumn 33, Issue 3, 1998, Pages 367-382

  Baxter, Carol A ^a   Murray, Christopher W ^a   Clark, David E ^a,b   Westhead, David R ^a,c   Eldridge, Matthew D ^a  

^a Proteus Molecular Design Ltd   (United Kingdom)

^b SANOFI   (France)

^c EUROPEAN BIOINFORMATICS INSTITUTE   (United Kingdom)

Author keywords

Binding affinity prediction; Empirical scoring function; Ligand protein docking; Molecular recognition; Tabu search

Indexed keywords

ALGORITHM; ARTICLE; BINDING AFFINITY; BINDING SITE; CLUSTER ANALYSIS; COMPLEX FORMATION; CRYSTAL STRUCTURE; DATA BASE; EMPIRICISM; ENTROPY; LIGAND BINDING; MOLECULAR RECOGNITION; PREDICTION; PRIORITY JOURNAL; RECEPTOR OCCUPANCY; REGRESSION ANALYSIS; SCORING SYSTEM;

ALGORITHMS; COMPUTER-AIDED DESIGN; DIPEPTIDES; DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; PIPERIDINES; PROTEIN CONFORMATION; RECEPTORS, DRUG; THROMBIN;

RUMEX;

EID: 0032533791     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(19981115)33:3<367::AID-PROT6>3.0.CO;2-W     Document Type: Article

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