sean ekins PhD, DSc

Location
Fuquay Varina, North Carolina, United States
Discipline
Biological Sciences
Interests
Computational ADME/Tox, Computational Drug Discovery
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  • 17 Followers

About

http://www.collabchem.com/cv_seanekins/
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Publications

  • Why Open Drug Discovery Needs Four Simple Rules for Licensing Data and Models

    Williams A, Wilbanks J, Ekins S

    PLoS Computational Biology (2012)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Techniques: application of systems biology to absorption, distribution, metabolism, excretion and toxicity

    Ekins S, Nikolsky Y, Nikolskaya T

    Trends Pharmacol Sci (2005)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel

    Ekins S, Crumb W, Sarazan R, Wikel J, Wrighton S

    J Pharmacol Exp Ther (2002)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • A novel method for visualizing nuclear hormone receptor networks relevant to drug metabolism

    Ekins S, Kirillov E, Rakhmatulin E, Nikolskaya T

    Drug Metab Dispos (2005)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Computational mapping tools for drug discovery

    Ivanenkov Y, Savchuk N, Ekins S, Balakin K

    Drug Discov Today (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling

    Ekins S, Mestres J, Testa B

    Br J Pharmacol (2007)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Pharmacophore-based discovery of ligands for drug transporters

    Chang C, Ekins S, Bahadduri P, Swaan P

    Adv Drug Deliv Rev (2006)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Three-dimensional quantitative structure-permeability relationship analysis for a series of inhibitors of rhinovirus replication

    Ekins S, Durst G, Stratford R, Thorner D, Lewis R, Loncharich R et al.

    J Chem Inf Comput Sci (2001)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • In silico pharmacology for drug discovery: applications to targets and beyond

    Ekins S, Mestres J, Testa B

    Br J Pharmacol (2007)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Application of three-dimensional quantitative structure-activity relationships of P-glycoprotein inhibitors and substrates

    Ekins S, Kim R, Leake B, Dantzig A, Schuetz E, Lan L et al.

    Mol Pharmacol (2002)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Comprehensive computational assessment of ADME properties using mapping techniques

    Balakin K, Ivanenkov Y, Savchuk N, Ivashchenko A, Ekins S

    Curr Drug Discov Technol (2005)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery

    Ekins S, Freundlich J, Choi I, Sarker M, Talcott C

    Trends Microbiol (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Future directions for drug transporter modelling

    Ekins S, Ecker G, Chiba P, Swaan P

    Xenobiotica (2007)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Pharmacophore and three-dimensional quantitative structure activity relationship methods for modeling cytochrome p450 active sites

    Ekins S, de Groot M, Jones J

    Drug Metab Dispos (2001)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • When pharmaceutical companies publish large datasets: an abundance of riches or fool's gold?

    Ekins S, Williams A

    Drug Discov Today (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Application of in silico approaches to predicting drug--drug interactions

    Ekins S, Wrighton S

    J Pharmacol Toxicol Methods (2001)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Molecular determinants of substrate/inhibitor binding to the human and rabbit renal organic cation transporters hOCT2 and rbOCT2

    Suhre W, Ekins S, Chang C, Swaan P, Wright S

    Mol Pharmacol (2005)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Understanding nuclear receptors using computational methods

    Ai N, Krasowski M, Welsh W, Ekins S

    Drug Discov Today (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Three- and four-dimensional quantitative structure activity relationship analyses of cytochrome P-450 3A4 inhibitors

    Ekins S, Bravi G, Binkley S, Gillespie J, Ring B, Wikel J et al.

    J Pharmacol Exp Ther (1999)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Bacterial peptide recognition and immune activation facilitated by human peptide transporter PEPT2

    Swaan P, Bensman T, Bahadduri P, Hall M, Sarkar A, Bao S et al.

    Am J Respir Cell Mol Biol (2008)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Hybrid scoring and classification approaches to predict human pregnane X receptor activators

    Kortagere S, Chekmarev D, Welsh W, Ekins S

    Pharm Res (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Chemoinformatic methods for predicting interference in drug of abuse/toxicology immunoassays

    Krasowski M, Siam M, Iyer M, Pizon A, Giannoutsos S, Ekins S

    Clin Chem (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Improving the drug selection and development process for combination devices

    Hupcey M, Ekins S

    Drug Discov Today (2007)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • A novel method for generation of signature networks as biomarkers from complex high throughput data

    Nikolsky Y, Ekins S, Nikolskaya T, Bugrim A

    Toxicol Lett (2005)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Modeling of active transport systems

    Zhang E, Phelps M, Cheng C, Ekins S, Swaan P

    Adv Drug Deliv Rev (2002)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Novel web-based tools combining chemistry informatics, biology and social networks for drug discovery

    Hohman M, Gregory K, Chibale K, Smith P, Ekins S, Bunin B

    Drug Discov Today (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Predicting undesirable drug interactions with promiscuous proteins in silico

    Ekins S

    Drug Discov Today (2004)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • A combined approach to drug metabolism and toxicity assessment

    Ekins S, Andreyev S, Ryabov A, Kirillov E, Rakhmatulin E, Sorokina S et al.

    Drug Metab Dispos (2006)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • The major human pregnane X receptor (PXR) splice variant, PXR.2, exhibits significantly diminished ligand-activated transcriptional regulation

    Lin Y, Yasuda K, Assem M, Cline C, Barber J, Li C et al.

    Drug Metab Dispos (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Challenges predicting ligand-receptor interactions of promiscuous proteins: the nuclear receptor PXR

    Ekins S, Kortagere S, Iyer M, Reschly E, Lill M, Redinbo M et al.

    PLoS Comput Biol (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Systems-ADME/Tox: resources and network approaches

    Ekins S

    J Pharmacol Toxicol Methods (2006)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Three-dimensional quantitative structure activity relationship analyses of substrates for CYP2B6

    Ekins S, Bravi G, Ring B, Gillespie T, Gillespie J, Vandenbranden M et al.

    J Pharmacol Exp Ther (1999)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Comparative pharmacophore modeling of organic anion transporting polypeptides: a meta-analysis of rat Oatp1a1 and human OATP1B1

    Chang C, Pang K, Swaan P, Ekins S

    J Pharmacol Exp Ther (2005)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Structural biology and function of solute transporters: implications for identifying and designing substrates

    Zhang E, Knipp G, Ekins S, Swaan P

    Drug Metab Rev (2002)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • A ligand-based approach to understanding selectivity of nuclear hormone receptors PXR, CAR, FXR, LXRalpha, and LXRbeta

    Ekins S, Mirny L, Schuetz E

    Pharm Res (2002)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Integrated in silico-in vitro strategy for addressing cytochrome P450 3A4 time-dependent inhibition

    Zientek M, Stoner C, Ayscue R, Klug-McLeod J, Jiang Y, West M et al.

    Chem Res Toxicol (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • In vitro and pharmacophore-based discovery of novel hPEPT1 inhibitors

    Ekins S, Johnston J, Bahadduri P, D'Souza V, Ray A, Chang C et al.

    Pharm Res (2005)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • The PXR crystal structure: the end of the beginning

    Ekins S, Schuetz E

    Trends Pharmacol Sci (2002)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Evolution of pharmacologic specificity in the pregnane X receptor

    Ekins S, Reschly E, Hagey L, Krasowski M

    BMC Evol Biol (2008)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • In silico repositioning of approved drugs for rare and neglected diseases

    Ekins S, Williams A, Krasowski M, Freundlich J

    Drug Discov Today (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Computational discovery of novel low micromolar human pregnane X receptor antagonists

    Ekins S, Kholodovych V, Ai N, Sinz M, Gal J, Gera L et al.

    Mol Pharmacol (2008)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Novel inhibitors of human organic cation/carnitine transporter (hOCTN2) via computational modeling and in vitro testing

    Diao L, Ekins S, Polli J

    Pharm Res (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Design, synthesis, cytoselective toxicity, structure-activity relationships, and pharmacophore of thiazolidinone derivatives targeting drug-resistant lung cancer cells

    Zhou H, Wu S, Zhai S, Liu A, Sun Y, Li R et al.

    J Med Chem (2008)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • In vitro and pharmacophore insights into CYP3A enzymes

    Ekins S, Stresser D, Williams J

    Trends Pharmacol Sci (2003)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Evolving molecules using multi-objective optimization: applying to ADME/Tox

    Ekins S, Honeycutt J, Metz J

    Drug Discov Today (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Algorithms for network analysis in systems-ADME/Tox using the MetaCore and MetaDrug platforms

    Ekins S, Bugrim A, Brovold L, Kirillov E, Nikolsky Y, Rakhmatulin E et al.

    Xenobiotica (2006)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Computational models to assign biopharmaceutics drug disposition classification from molecular structure

    Khandelwal A, Bahadduri P, Chang C, Polli J, Swaan P, Ekins S

    Pharm Res (2007)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • In silico approaches to predicting drug metabolism, toxicology and beyond

    Ekins S

    Biochem Soc Trans (2003)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Towards a new age of virtual ADME/TOX and multidimensional drug discovery

    Ekins S, Boulanger B, Swaan P, Hupcey M

    Mol Divers (2002)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • The evolution of farnesoid X, vitamin D, and pregnane X receptors: insights from the green-spotted pufferfish (Tetraodon nigriviridis) and other non-mammalian species

    Krasowski M, Ai N, Hagey L, Kollitz E, Kullman S, Reschly E et al.

    BMC Biochem (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Validating new tuberculosis computational models with public whole cell screening aerobic activity datasets

    Ekins S, Freundlich J

    Pharm Res (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Application of data mining approaches to drug delivery

    Ekins S, Shimada J, Chang C

    Adv Drug Deliv Rev (2006)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • PXR and the regulation of apoA1 and HDL-cholesterol in rodents

    Bachmann K, Patel H, Batayneh Z, Slama J, White D, Posey J et al.

    Pharmacol Res (2004)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Reengineering the pharmaceutical industry by crash-testing molecules

    Swaan P, Ekins S

    Drug Discov Today (2005)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Quantitative structure-metabolism relationship modeling of metabolic N-dealkylation reaction rates

    Balakin K, Ekins S, Bugrim A, Ivanenkov Y, Korolev D, Nikolsky Y et al.

    Drug Metab Dispos (2004)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Three-dimensional quantitative structure activity relationship computational approaches for prediction of human in vitro intrinsic clearance

    Ekins S, Obach R

    J Pharmacol Exp Ther (2000)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Three-dimensional-quantitative structure activity relationship analysis of cytochrome P-450 3A4 substrates

    Ekins S, Bravi G, Wikel J, Wrighton S

    J Pharmacol Exp Ther (1999)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Kohonen maps for prediction of binding to human cytochrome P450 3A4

    Balakin K, Ekins S, Bugrim A, Ivanenkov Y, Korolev D, Nikolsky Y et al.

    Drug Metab Dispos (2004)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Prediction of human drug metabolizing enzyme induction

    Mankowski D, Ekins S

    Curr Drug Metab (2003)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Precompetitive preclinical ADME/Tox data: set it free on the web to facilitate computational model building and assist drug development

    Ekins S, Williams A

    Lab Chip (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • New predictive models for blood-brain barrier permeability of drug-like molecules

    Kortagere S, Chekmarev D, Welsh W, Ekins S

    Pharm Res (2008)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Why we should be vigilant: drug cytotoxicity observed with in vitro transporter inhibition studies

    Zheng X, Diao L, Ekins S, Polli J

    Biochem Pharmacol (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Three-dimensional quantitative structure-activity relationships of inhibitors of P-glycoprotein

    Ekins S, Kim R, Leake B, Dantzig A, Schuetz E, Lan L et al.

    Mol Pharmacol (2002)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Towards a new age of virtual ADME/TOX and multidimensional drug discovery

    Ekins S, Boulanger B, Swaan P, Hupcey M

    J Comput Aided Mol Des (2002)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Insights for human ether-a-go-go-related gene potassium channel inhibition using recursive partitioning and Kohonen and Sammon mapping techniques

    Ekins S, Balakin K, Savchuk N, Ivanenkov Y

    J Med Chem (2006)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Troubleshooting computational methods in drug discovery

    Kortagere S, Ekins S

    J Pharmacol Toxicol Methods (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Molecular similarity methods for predicting cross-reactivity with therapeutic drug monitoring immunoassays

    Krasowski M, Siam M, Iyer M, Ekins S

    Ther Drug Monit (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Influence of molecular structure on substrate binding to the human organic cation transporter, hOCT1

    Bednarczyk D, Ekins S, Wikel J, Wright S

    Mol Pharmacol (2003)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Molecular cloning, expression, and characterization of CYP2D17 from cynomolgus monkey liver

    Mankowski D, Laddison K, Christopherson P, Ekins S, Tweedie D, Lawton M

    Arch Biochem Biophys (1999)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • The importance of discerning shape in molecular pharmacology

    Kortagere S, Krasowski M, Ekins S

    Trends Pharmacol Sci (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Finding promiscuous old drugs for new uses

    Ekins S, Williams A

    Pharm Res (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • In silico ADME/Tox: the state of the art

    Ekins S, Rose J

    J Mol Graph Model (2002)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Evolution of the bile salt nuclear receptor FXR in vertebrates

    Reschly E, Ai N, Ekins S, Welsh W, Hagey L, Hofmann A et al.

    J Lipid Res (2008)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Evaluation of computational docking to identify pregnane X receptor agonists in the ToxCast database

    Kortagere S, Krasowski M, Reschly E, Venkatesh M, Mani S, Ekins S

    Environ Health Perspect (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Essential metabolites of Mycobacterium tuberculosis and their mimics

    Lamichhane G, Freundlich J, Ekins S, Wickramaratne N, Nolan S, Bishai W

    MBio (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Predicting inhibitors of acetylcholinesterase by regression and classification machine learning approaches with combinations of molecular descriptors

    Chekmarev D, Kholodovych V, Kortagere S, Welsh W, Ekins S

    Pharm Res (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Human pregnane X receptor antagonists and agonists define molecular requirements for different binding sites

    Ekins S, Chang C, Mani S, Krasowski M, Reschly E, Iyer M et al.

    Mol Pharmacol (2007)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Further characterization of the expression in liver and catalytic activity of CYP2B6

    Ekins S, Vandenbranden M, Ring B, Gillespie J, Yang T, Gelboin H et al.

    J Pharmacol Exp Ther (1998)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Chemical space: missing pieces in cheminformatics

    Ekins S, Gupta R, Gifford E, Bunin B, Waller C

    Pharm Res (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Evolution of promiscuous nuclear hormone receptors: LXR, FXR, VDR, PXR, and CAR.

    Krasowski M, Ni A, Hagey L, Ekins S

    Molecular and cellular endocrinology (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • A Predictive Ligand-Based Bayesian Model for Human Drug-Induced Liver Injury □ ABSTRACT :

    Ekins S, Williams A, Xu J

    Pharmacology (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • A collaborative database and computational models for tuberculosis drug discovery.

    Ekins S, Bradford J, Dole K, Spektor A, Gregory K, Blondeau D et al.

    Molecular bioSystems (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • articles Computational Models for Drug Inhibition of the Human Apical Sodium-Dependent Bile Acid Transporter

    Zheng X, Ekins S, Raufman J, Polli J

    Molecular Pharmaceutics (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Elucidating the 'Jekyll and Hyde' nature of PXR: the case for discovering antagonists or allosteric antagonists.

    Biswas A, Mani S, Redinbo M, Krasowski M, Li H, Ekins S

    Pharmaceutical research (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Commentary A Turning Point For Blood – Brain Barrier Modeling

    Ekins S, Tropsha A

    Brain (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Shape signatures: new descriptors for predicting cardiotoxicity in silico.

    Chekmarev D, Kholodovych V, Balakin K, Ivanenkov Y, Ekins S, Welsh W

    Chemical research in toxicology (2008)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Ligand specificity and evolution of liver X receptors.

    Reschly E, Ai N, Welsh W, Ekins S, Hagey L, Krasowski M

    The Journal of steroid biochemistry and molecular biology (2008)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Combined computational metabolite prediction and automated structure-based analysis of mass spectrometric data.

    Stranz D, Miao S, Campbell S, Maydwell G, Ekins S

    Toxicology mechanisms and methods (2008)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Three-Dimensional Quantitative Structure-Activity Relationship Analysis of Human CYP51 Inhibitors □ ABSTRACT :

    Ekins S, Mankowski D, Hoover D, Lawton M, Treadway J, Harwood H

    Pharmacology (2007)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Effects of antipsychotic drugs on I(to), I (Na), I (sus), I (K1), and hERG: QT prolongation, structure activity relationship, and network analysis.

    Crumb W, Ekins S, Sarazan R, Wikel J, Wrighton S, Carlson C et al.

    Pharmaceutical research (2006)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • ALTERATIONS OF THE CATALYTIC ACTIVITIES OF DRUG-METABOLIZING ENZYMES IN CULTURES OF HUMAN LIVER SLICES ABSTRACT :

    Vandenbranden M, Wrighton S, Ekins S, Gillespie J, Binkley S, Ring B et al.

    Pharmacology (1998)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • A PHARMACOPHORE FOR HUMAN PREGNANE X RECEPTOR LIGANDS ABSTRACT :

    Erickson J

    Pharmacology (2002)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS FOR THE GLUCURONIDATION OF SIMPLE PHENOLS BY EXPRESSED HUMAN UGT1A6 AND UGT1A9 ABSTRACT :

    Ethell B, Ekins S, Wang J, Burchell B

    Pharmacology (2002)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Optimizing higher throughput methods to assess drug-drug interactions for CYP1A2, CYP2C9, CYP2C19, CYP2D6, rCYP2D6 and CYP3A4 in vitro using a single point IC50

    Gao F, Johnson D, Ekins S, Janiszewski J, Kelly K, Meyer R et al.

    J Biomol Screen (2002)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Identification and Validation of Novel hPXR Activators Amongst Prescribed Drugs via Ligand-Based Virtual Screening

    Pan Y, Li L, Kim G, Ekins S, Wang H, Swaan P

    Drug Metab Dispos (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • A retrospective randomized study of asthma control in the US: results of the CHARIOT study

    Marcus P, Arnold R, Ekins S, Sacco P, Massanari M, Stanley Young S et al.

    Curr Med Res Opin (2008)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Quantitative differences in phase I and II metabolism between rat precision-cut liver slices and isolated hepatocytes

    Ekins S, Murray G, Burke M, Williams J, Marchant N, Hawksworth G

    Drug Metab Dispos (1995)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Pharmacophore modeling of cytochromes P450

    de Groot M, Ekins S

    Adv Drug Deliv Rev (2002)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • A comprehensive in vitro and in silico analysis of antibiotics that activate pregnane X receptor and induce CYP3A4 in liver and intestine

    Yasuda K, Ranade A, Venkataramanan R, Strom S, Chupka J, Ekins S et al.

    Drug Metab Dispos (2008)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Characterization of transgenic mouse strains using six human hepatic cytochrome P450 probe substrates

    Mankowski D, Lawton M, Ekins S

    Xenobiotica (2000)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • The role of CYP2B6 in human xenobiotic metabolism

    Ekins S, Wrighton S

    Drug Metab Rev (1999)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Alternative business models for drug discovery

    Bunin B, Ekins S

    Drug Discov Today (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Activation of a tunicate (Ciona intestinalis) xenobiotic receptor orthologue by both natural toxins and synthetic toxicants

    Fidler A, Holland P, Reschly E, Ekins S, Krasowski M

    Toxicon (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Computational prediction of human drug metabolism

    Ekins S, Andreyev S, Ryabov A, Kirillov E, Rakhmatulin E, Bugrim A et al.

    Expert Opin Drug Metab Toxicol (2005)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Short-term maintenance of phase I and II metabolism in precision-cut liver slices in dynamic organ culture

    Ekins S

    Drug Metab Dispos (1996)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Past, present, and future applications of precision-cut liver slices for in vitro xenobiotic metabolism

    Ekins S

    Drug Metab Rev (1996)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • (R)-, (S)-, and racemic fluoxetine N-demethylation by human cytochrome P450 enzymes

    Margolis J, O'Donnell J, Mankowski D, Ekins S, Obach R

    Drug Metab Dispos (2000)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Two farnesoid X receptor alpha isoforms in Japanese medaka (Oryzias latipes) are differentially activated in vitro

    Howarth D, Hagey L, Law S, Ai N, Krasowski M, Ekins S et al.

    Aquat Toxicol (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Reaching out to collaborators: crowdsourcing for pharmaceutical research

    Ekins S, Williams A

    Pharm Res (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Examination of purported probes of human CYP2B6

    Ekins S, VandenBranden M, Ring B, Wrighton S

    Pharmacogenetics (1997)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Halogenated ligands and their interactions with amino acids: implications for structure-activity and structure-toxicity relationships

    Kortagere S, Ekins S, Welsh W

    J Mol Graph Model (2008)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Computational approaches that predict metabolic intermediate complex formation with CYP3A4 (+b5)

    Jones D, Ekins S, Li L, Hall S

    Drug Metab Dispos (2007)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Xenobiotic metabolism in rat, dog, and human precision-cut liver slices, freshly isolated hepatocytes, and vitrified precision-cut liver slices

    Ekins S, Williams J, Murray G, Burke M, Marchant N, Engeset J et al.

    Drug Metab Dispos (1996)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Quantitative structure activity relationship for inhibition of human organic cation/carnitine transporter

    Diao L, Ekins S, Polli J

    Mol Pharm (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Three and four dimensional-quantitative structure activity relationship (3D/4D-QSAR) analyses of CYP2D6 inhibitors

    Ekins S, Bravi G, Binkley S, Gillespie J, Ring B, Wikel J et al.

    Pharmacogenetics (1999)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Methods for predicting human drug metabolism

    Jolivette L, Ekins S

    Adv Clin Chem (2007)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Rapid identification of P-glycoprotein substrates and inhibitors

    Chang C, Bahadduri P, Polli J, Swaan P, Ekins S

    Drug Metab Dispos (2006)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Classification of metabolites with kernel-partial least squares (K-PLS)

    Embrechts M, Ekins S

    Drug Metab Dispos (2007)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Molecular characterization of CYP2B6 substrates

    Ekins S, Iyer M, Krasowski M, Kharasch E

    Curr Drug Metab (2008)

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  • Three- and four-dimensional-quantitative structure activity relationship (3D/4D-QSAR) analyses of CYP2C9 inhibitors

    Ekins S, Bravi G, Binkley S, Gillespie J, Ring B, Wikel J et al.

    Drug Metab Dispos (2000)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Competitive collaboration in the pharmaceutical and biotechnology industry

    Bingham A, Ekins S

    Drug Discov Today (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Present and future in vitro approaches for drug metabolism

    Ekins S, Ring B, Grace J, McRobie-Belle D, Wrighton S

    J Pharmacol Toxicol Methods (2000)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Progress in predicting human ADME parameters in silico

    Ekins S, Waller C, Swaan P, Cruciani G, Wrighton S, Wikel J

    J Pharmacol Toxicol Methods (2000)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Analysis and hit filtering of a very large library of compounds screened against Mycobacterium tuberculosis

    Ekins S, Kaneko T, Lipinski C, Bradford J, Dole K, Spektor A et al.

    Mol Biosyst (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • A hybrid approach to advancing quantitative prediction of tissue distribution of basic drugs in human

    Poulin P, Ekins S, Theil F

    Toxicol Appl Pharmacol (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Generation and validation of rapid computational filters for cyp2d6 and cyp3a4

    Ekins S, Berbaum J, Harrison R

    Drug Metab Dispos (2003)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Using open source computational tools for predicting human metabolic stability and additional absorption, distribution, metabolism, excretion, and toxicity properties

    Gupta R, Gifford E, Liston T, Waller C, Hohman M, Bunin B et al.

    Drug Metab Dispos (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Using molecular similarity to highlight the challenges of routine immunoassay-based drug of abuse/toxicology screening in emergency medicine

    Krasowski M, Pizon A, Siam M, Giannoutsos S, Iyer M, Ekins S

    BMC Emerg Med (2009)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Autoactivation and activation of the cytochrome P450s

    Ekins S, Ring B, Binkley S, Hall S, Wrighton S

    Int J Clin Pharmacol Ther (1998)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Targeting drug transporters - combining in silico and in vitro approaches to predict in vivo

    Bahadduri P, Polli J, Swaan P, Ekins S

    Methods Mol Biol (2010)

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  • Machine learning methods and docking for predicting human pregnane X receptor activation

    Khandelwal A, Krasowski M, Reschly E, Sinz M, Swaan P, Ekins S

    Chem Res Toxicol (2008)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Chemical target and pathway toxicity mechanisms defined in primary human cell systems

    Berg E, Yang J, Melrose J, Nguyen D, Privat S, Rosler E et al.

    J Pharmacol Toxicol Methods (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Pathway mapping tools for analysis of high content data

    Ekins S, Nikolsky Y, Bugrim A, Kirillov E, Nikolskaya T

    Methods Mol Biol (2007)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Intrinsic disorder in nuclear hormone receptors

    Krasowski M, Reschly E, Ekins S

    J Proteome Res (2008)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • A quality alert and call for improved curation of public chemistry databases

    Williams A, Ekins S

    Drug Discov Today (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Time for cooperation in health economics among the modelling community

    Arnold R, Ekins S

    Pharmacoeconomics (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.