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Elucidation of Agonist and Antagonist Dynamic Binding Patterns in ER-α by Integration of Molecular Docking,Molecular Dynamics Simulations and Quantum Mechanical Calculations |
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| Authors: | Sugunadevi Sakkiah Chandrabose Selvaraj Wenjing Guo Jie Liu Weigong Ge Tucker A. Patterson Huixiao Hong |
| Affiliation: | Division of Bioinformatics and Biostatistics, National Center for Toxicological Research, U.S. Food and Drug Administration, 3900 NCTR Road, Jefferson, AR 72079, USA; (S.S.); (C.S.); (W.G.); (J.L.); (W.G.); (T.A.P.) |
| Abstract: | |
| Keywords: | molecular docking molecular dynamics simulations quantum mechanical calculations estrogen receptor dynamic binding pattern |