De novo design of potential RecA inhibitors using multiObjective optimization

IEEE/ACM Transactions on Computational Biology and Bioinformatics

Volumn 9, Issue 4, 2012, Pages 1139-1154

  Sengupta, Soumi ^a   Bandyopadhyay, Sanghamitra ^a  

^a INDIAN STATISTICAL INSTITUTE   (India)

Author keywords

De novo ligand design; genetic algorithm; multiobjective optimization; Mycobacterium tuberculosis; oral bioavailability; rational drug design; simulated annealing

Indexed keywords

BINDING AFFINITIES; CAUSATIVE AGENTS; COMPARATIVE ANALYSIS; DE NOVO DESIGN; DRUG DESIGN; ENERGY COMPONENTS; LIGAND DESIGN; LIGAND PROPERTIES; MULTI OBJECTIVE; MULTI-OBJECTIVE OPTIMIZATION TECHNIQUES; MULTIPLE OBJECTIVES; MYCOBACTERIUM TUBERCULOSIS; NON-DOMINATED SORTING GENETIC ALGORITHM - II; ORAL BIOAVAILABILITY; RECA PROTEINS; SEARCH ALGORITHMS; SMALL MOLECULES;

BINDING ENERGY; BIOCHEMISTRY; GENETIC ALGORITHMS; LIGANDS; MOLECULES; MULTIOBJECTIVE OPTIMIZATION; SIMULATED ANNEALING; TUBES (COMPONENTS);

DESIGN;

MYCOBACTERIUM TUBERCULOSIS;

BACTERIAL PROTEIN; ENZYME INHIBITOR; LIGAND; RECA PROTEIN;

ALGORITHM; ARTICLE; BIOLOGICAL MODEL; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG DESIGN; ENZYMOLOGY; METABOLISM; METHODOLOGY; MYCOBACTERIUM TUBERCULOSIS; PROTEIN BINDING;

ALGORITHMS; BACTERIAL PROTEINS; COMPUTATIONAL BIOLOGY; DRUG DESIGN; ENZYME INHIBITORS; LIGANDS; MODELS, GENETIC; MODELS, MOLECULAR; MYCOBACTERIUM TUBERCULOSIS; PROTEIN BINDING; REC A RECOMBINASES;

EID: 84861489006     PISSN: 15455963     EISSN: None     Source Type: Journal    
DOI: 10.1109/TCBB.2012.35     Document Type: Article

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