Molecular simulations of aromatase reveal new insights into the mechanism of ligand binding

Journal of Chemical Information and Modeling

Volumn 53, Issue 8, 2013, Pages 2047-2056

  Park, Jiho ^a   Czapla, Luke ^a   Amaro, Rommie E ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISEASES; LIGANDS; LIPID BILAYERS; MOLECULAR DYNAMICS; PROTONATION;

AMINO ACID RESIDUES; CONFORMATIONAL SHIFTS; CRYSTALLOGRAPHIC DATA; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; RATE-LIMITING ENZYMES; THERAPEUTIC TREATMENTS; TRANSMEMBRANE HELICES;

BINDING SITES;

ANTINEOPLASTIC AGENT; AROMATASE; AROMATASE INHIBITOR; PROTEIN BINDING; PROTON;

CHEMISTRY; DRUG DESIGN; ENDOPLASMIC RETICULUM; ENZYME ACTIVE SITE; METABOLISM; MOLECULAR DYNAMICS; ARTICLE; PROTEIN BINDING;

ANTINEOPLASTIC AGENTS; AROMATASE; AROMATASE INHIBITORS; CATALYTIC DOMAIN; DRUG DESIGN; ENDOPLASMIC RETICULUM; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTONS;

EID: 84883209155     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400225w     Document Type: Article

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