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Bioorganic and Medicinal Chemistry Letters

Volumn 20, Issue 22, 2010, Pages 6616-6619

Identification of optimum computational protocols for modeling the aryl hydrocarbon receptor (AHR) and its interaction with ligands

(3) Jogalekar, Ashutosh S a Reiling, Stephan a Vaz, Roy J a

a SANOFI (France)

Author keywords

Aryl hydrocarbon receptor (AHR); CYP1A1; Docking; MM GBSA; Molecular dynamics; Scoring; TCDD

Indexed keywords

AROMATIC HYDROCARBON RECEPTOR;

ARTICLE; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; PROTEIN CONFORMATION; PROTEIN INTERACTION; SIMULATION;

AMINO ACID SEQUENCE; LIGANDS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PROTEIN BINDING; RECEPTORS, ARYL HYDROCARBON; SEQUENCE HOMOLOGY, AMINO ACID; TETRACHLORODIBENZODIOXIN;

EID: 77958033879 PISSN: 0960894X EISSN: None Source Type: Journal
DOI: 10.1016/j.bmcl.2010.09.019 Document Type: Article

Times cited : (21)

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