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Elucidation of the Enantioselective Enzymatic Hydrolysis of Chiral Herbicide Dichlorprop Methyl by Chemical Modification

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R.E.D. Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments

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Bisphenol AF Is a Full Agonist for the Estrogen Receptor ERα but a Highly Specific Antagonist for ERβ

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Differences in sensitivity but not selectivity of xenoestrogen binding to alligator versus human estrogen receptor alpha

(2010) Cynthia V. Rider et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

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Phenotypic effects of Ehlers-Danlos syndrome-associated mutation on the FnIII domain of tenascin-X

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Exploring Interactions of Endocrine-Disrupting Compounds with Different Conformations of the Human Estrogen Receptor α Ligand Binding Domain: A Molecular Docking Study

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The influence of non-toxic concentrations of DDT and DDE on the old world vulture estrogen receptor alpha

(2008) Vinny Naidoo et al.   GENERAL AND COMPARATIVE ENDOCRINOLOGY

Insights into Ligand Selectivity in Estrogen Receptor Isoforms:  Molecular Dynamics Simulations and Binding Free Energy Calculations

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NFκB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses

(2008) Kendall W Nettles et al.   Nature Chemical Biology

Preliminary Molecular Dynamic Simulations of the Estrogen Receptor Alpha Ligand Binding Domain from Antagonist to Apo

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