POVME: An algorithm for measuring binding-pocket volumes

Journal of Molecular Graphics and Modelling

Volumn 29, Issue 5, 2011, Pages 773-776

  Durrant, Jacob D ^a   De Oliveira, César Augusto F ^a   McCammon, J Andrew ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Algorithm; Binding pocket volume; Computer aided drug design; POVME

Indexed keywords

BINDING-POCKET VOLUME; COMPUTER-AIDED DRUG DESIGN; LIGAND BINDING; MATRIX; METALLOPROTEINASES; POVME; SIMPLE ALGORITHM; STRUCTURAL SIMILARITY;

DESIGN; DRUG THERAPY;

ALGORITHMS;

MATRIX METALLOPROTEINASE;

ALGORITHM; ARTICLE; COMPUTER; DRUG DESIGN; LIGAND BINDING; MOLECULAR DYNAMICS; POCKET VOLUME MEASURER; PRIORITY JOURNAL;

ALGORITHMS; BINDING SITES; DRUG DESIGN; ISOENZYMES; MATRIX METALLOPROTEINASES; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS;

EID: 79751535059     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2010.10.007     Document Type: Article

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