Dr. Sean Ekins

Senior VP, Computational Biology

View his full CV here.

Ekins S, Jinghai JX. Drug Efficacy, Safety, and Biologics Discovery: Emerging technologies and Tools. Wiley- Interscience, 2009 Jan

Krasowski MD; Siam MG; Iyer M; Ekins S. Molecular similarity methods for predicting cross-reactivity with therapeutic drug monitoring immunoassays. Therapeutic drug monitoring 2009;31(3):337-44.

Krasowski MD; Siam MG; Iyer M; Pizon AF; Giannoutsos S; Ekins S. Chemoinformatic methods for predicting interference in drug of abuse/toxicology immunoassays. Clinical chemistry 2009;55(6):1203-13.

Lin YS; Yasuda K; Assem M; Cline C; Barber J; Li Chia-Wei; Kholodovych Vl; Ai Ni; Chen JD; Welsh WJ; Ekins S; Schuetz EG. The major human pregnane X receptor (PXR) splice variant, PXR.2, exhibits significantly diminished ligand-activated transcriptional regulation. Drug metabolism and disposition: the biological fate of chemicals 2009;37(6):1295-304.

Marcus P, Arnold RJG, Ekins S, et al. A Retrospective Randomized Study of Asthma Control in the US: Results of the CHARIOT Study; Current Medical Research and Opinion 2008; 24:3443-52.

Ekins S. Computational Toxicology: Risk Assessment for Pharmaceutical and Environmental Chemicals (Wiley Series on Technologies for the Pharmaceutical Industry). Wiley- Interscience, 2007 Jun; ISBN: 978-0-470-04962-4  

Ekins S, Mankowski DC, Hoover DJ, Lawton MP, Treadway JL, Harwood HJ. Three Dimensional-Quantitative Structure Activity Relationship (3D-QSAR) Analysis Of Human CYP51 Inhibitors. Drug Metab Dispos. 2006 Dec 28; PMID: 17194716

Embrechts MJ, Ekins S. Classification of Metabolites with Kernel Partial Least Squares (K-PLS). Drug Metab Dispos. 2007 Mar;35(3):325-27. PMID: 17142559

Chang C, Bahadduri PM, Polli JE, Swaan PW, Ekins S. Rapid identification of P-glycoprotein substrates and inhibitors. Drug Metab Dispos. 2006 Dec;34(12):1976-84. PMID: 16997908

Chang C, Ekins S, Bahadduri P, Swaan PW. Pharmacophore-based discovery of ligands for drug transporters. Adv Drug Deliv Rev. 2006 Nov 30;58(12-13):1431-50.  PMID: 17097188

Ekins S, Shimada J, Chang C. Application of data mining approaches to drug delivery. Adv Drug Deliv Rev. 2006 Nov 30;58(12-13):1409-30. PMID: 17081647

Ekins S, Balakin KV, Savchuk N, Ivanenkov Y. Insights for human ether-a-go-go-related gene potassium channel inhibition using recursive partitioning and Kohonen and Sammon mapping techniques. J Med Chem. 2006 Aug 24;49(17):5059-71. PMID: 16913696

Crumb WJ Jr, Ekins S, Sarazan RD, Wikel JH, Wrighton SA, Carlson C, Beasley CM Jr. Effects of antipsychotic drugs on I(to), I (Na), I (sus), I (K1), and hERG: QT prolongation, structure activity relationship, and network analysis. Pharm Res. 2006 Jun;23(6):1133-43. PMID: 16715368

Ekins S, Wang B. Computer Applications in Pharmaceutical Research and Development. Wiley- Interscience, 2006 Jun.