Papers authored by Sean Ekins
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Antony Williams Alex Tropsha Valery Tkachenko Chris Lipinski,
Valery Tkachenko,
A. Tropsha,
Sean Ekins
Free online resources enabling crowd-sourced drug discovery
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Hybrid Scoring and Classification Approaches to Predict Human Pregnane X Receptor Activators
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Intrinsic Disorder in Nuclear Hormone Receptors
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Vladyslav Kholodovych,
Ni Ai,
Michael Sinz,
Joseph Gal,
Lajos Gera,
William J. Welsh,
Kenneth Bachmann,
Sridhar Mani
Computational Discovery of Novel Low Micromolar Human Pregnane X Receptor Antagonists
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Manisha Iyer,
Matthew D. Krasowski,
Evan D. Kharasch
Molecular Characterization of Cyp2b6 Substrates
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William J. Welsh
Shape Signatures: New Descriptors for Predicting Cardiotoxicity In Silico
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Lee R. Hagey,
Matthew D. Krasowski
Ligand specificity and evolution of liver X receptors
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New Predictive Models for Blood—Brain Barrier Permeability of Drug-like Molecules
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Peter W. Swaan,
Bingliang Fang,
Bin Zhang,
Bing Yan
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Erica J. Reschly,
Lee R. Hagey,
Matthew D. Krasowski
Evolution of pharmacologic specificity in the pregnane X receptor
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G. F. Ecker,
P. Chiba,
P. W. Swaan
Future directions for drug transporter modelling
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J. Mestres,
B. Testa
In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling
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