SLNSW-Elucidation of Agonist and Antagonist Dynamic Bin...-TN_cdi_doaj_primary_oai_doaj_org_article_d69a29fe41df4f7e900150a26cd4c637

Elucidation of Agonist and Antagonist Dynamic Binding Patterns in ER-α by Integration of Molecular Docking, Molecular Dynamics Simulations and Quantum Mechanical Calculations

Full title: Elucidation of Agonist and Antagonist Dynamic Binding Patterns in ER-α by Integration of Molecular Docking, Molecular Dynamics Simulations and Quantum Mechanical Calculations

Author/creator: Oak Ridge Inst. for Science and Education (ORISE), Oak Ridge, TN (United States), Sakkiah, Sugunadevi, Selvaraj, Chandrabose, Guo, Wenjing, Liu, Jie, Ge, Weigong, Patterson, Tucker A., Hong, Huixiao.

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Record Identifier: TN_cdi_doaj_primary_oai_doaj_org_article_d69a29fe41df4f7e900150a26cd4c637

Language: English

Formats: Articles

Publishers: Basel: MDPI AG

Permalink: https://collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_d69a29fe41df4f7e900150a26cd4c637

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    Record title

    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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    TN_cdi_doaj_primary_oai_doaj_org_article_d69a29fe41df4f7e900150a26cd4c637

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    https://collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_d69a29fe41df4f7e900150a26cd4c637

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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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    https://collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_d69a29fe41df4f7e900150a26cd4c637

    Elucidation of Agonist and Antagonist Dynamic Binding Patterns in ER-α by Integration of Molecular Docking, Molecular Dynamics Simulations and Quantum Mechanical Calculations

    Full title

    Elucidation of Agonist and Antagonist Dynamic Binding Patterns in ER-α by Integration of Molecular Docking, Molecular Dynamics Simulations and Quantum Mechanical Calculations

    Author / Creator

    Oak Ridge Inst. for Science and Education (ORISE), Oak Ridge, TN (United States) ; Sakkiah, Sugunadevi ; Selvaraj, Chandrabose ; Guo, Wenjing ; Liu, Jie ; Ge, Weigong ; Patterson, Tucker A. ; Hong, Huixiao

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    Basel: MDPI AG

    Journal title

    International journal of molecular sciences, 2021, Vol.22 (17), p.9371

    Record Identifier

    TN_cdi_doaj_primary_oai_doaj_org_article_d69a29fe41df4f7e900150a26cd4c637

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    English

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    Articles

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    17β-Estradiol Agonists Antagonists Binding energy Binding sites Biochemistry & Molecular Biology Chemistry Cluster analysis Clustering Drug development dynamic binding pattern Energy value estrogen receptor Estrogen receptors Estrogens Gene expression Hydrogen bonds Kinases Ligands Mathematical analysis Molecular docking Molecular dynamics molecular dynamics simulations Proteins quantum mechanical calculations Quantum mechanics Receptors Risk assessment Sex hormones Simulation Steroids

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    TN_cdi_doaj_primary_oai_doaj_org_article_d69a29fe41df4f7e900150a26cd4c637

    Permalink

    https://collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_d69a29fe41df4f7e900150a26cd4c637

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