Data mining of docking results. Application to 3-dehydroquinate Dehydratase

Current Bioinformatics

Volumn 9, Issue 4, 2014, Pages 361-379

  de Ávila, Maurício Boff ^a   de Azevedo, Walter Filgueira ^a  

^a PONTIFICAL CATHOLIC UNIVERSITY OF RIO GRANDE DO SUL   (Brazil)

Author keywords

3 dehydroquinate dehydratase; Bioinformatics; Data mining; Ligand docking; Mycobacterium tuberculosis; Shikimate pathway

Indexed keywords

APPLICATION PROGRAMS; BINDING ENERGY; DATA MINING; EVOLUTIONARY ALGORITHMS; LIGANDS; MOLECULAR MODELING; OPTIMIZATION; QUALITY CONTROL; SPECTROSCOPIC ANALYSIS; STRUCTURAL ANALYSIS; X RAY DIFFRACTION;

3-DEHYDROQUINATE DEHYDRATASE; COMPUTATIONAL METHODOLOGY; CRYSTALLOGRAPHIC STRUCTURE; DEHYDROQUINATE; LIGAND DOCKING; MOLECULAR DOCKING; MYCOBACTERIUM TUBERCULOSIS; PROTEIN TARGETS; SHIKIMATE PATHWAY; STRUCTURAL FEATURE;

ENZYMES;

3 DEHYDROQUINATE DEHYDRATASE; 3 DEHYDROQUINATE DEHYDRATASE INHIBITOR; ANTIINFECTIVE AGENT; LYASE INHIBITOR; NATURAL PRODUCT; SHIKIMIC ACID; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; BIOINFORMATICS; COMPUTER SIMULATION; CORRELATION COEFFICIENT; CRYSTAL STRUCTURE; DATA MINING; DRUG SCREENING; ENZYME INHIBITOR INTERACTION; HELICOBACTER PYLORI; INHIBITION CONSTANT; LIGAND BINDING; METHODOLOGY; MOLECULAR DOCKING; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PRIORITY JOURNAL; SCORING SYSTEM; STREPTOMYCES COELICOLOR; VIRTUAL REALITY; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

MYCOBACTERIUM TUBERCULOSIS;

EID: 84949122624     PISSN: 15748936     EISSN: 2212392X     Source Type: Journal    
DOI: 10.2174/1574893609666140421205215     Document Type: Article

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