Compound prioritization from inverse docking experiment using receptor-centric and ligand-centric methods: A case study on Plasmodium falciparum Fab enzymes

Journal of Molecular Recognition

Volumn 27, Issue 4, 2014, Pages 215-229

  Kumar, Sivakumar Prasanth ^a   Pandya, Himanshu A ^a   Desai, Vishal H ^a   Jasrai, Yogesh T ^a  

^a GUJARAT UNIVERSITY   (India)

Author keywords

antimalarial; compound prioritization; Fab enzymes; inverse docking; molecular field QSAR; multilayer perceptron; reverse docking

Indexed keywords

ANTIMALARIAL AGENT; FATTY ACID; LIGAND;

ARTICLE; BINDING SITE; CHEMISTRY; COMPOUND PRIORITIZATION; DRUG ANTAGONISM; DRUG EFFECT; FAB ENZYMES; HUMAN; IMMUNOLOGY; INVERSE DOCKING; METABOLISM; MOLECULAR DOCKING; MOLECULAR FIELD QSAR; PERCEPTRON; PLASMODIUM FALCIPARUM; PROTEIN BINDING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVERSE DOCKING;

ANTIMALARIAL; COMPOUND PRIORITIZATION; FAB ENZYMES; INVERSE DOCKING; MOLECULAR FIELD QSAR; MULTILAYER PERCEPTRON; REVERSE DOCKING;

ANTIMALARIALS; BINDING SITES; FATTY ACIDS; HUMANS; LIGANDS; METABOLIC NETWORKS AND PATHWAYS; MOLECULAR DOCKING SIMULATION; PLASMODIUM FALCIPARUM; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84897622425     PISSN: 09523499     EISSN: 10991352     Source Type: Journal    
DOI: 10.1002/jmr.2353     Document Type: Article

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