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Hoffmann, R. A wiki for the life sciences where authorship matters. Nature Genetics (2008)
 

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Sean Ekins

Collaborations in Chemistry

601 Runnymede Ave.

Jenkintown

PA 19046

USA

[email]@yahoo.com

Name/email consistency: high

 
 
 
 
 
 
 

Affiliations

  • Collaborations in Chemistry, 601 Runnymede Ave., Jenkintown, PA 19046, USA. 2006 - 2010
  • Collaborations in Chemistry, Jenkintown, Pennsylvania, United States of America. 2009
  • ACT LLC, 1 Penn Plaza, New York, NY 10119, USA. 2006 - 2007
  • Concurrent Pharmaceuticals Inc, 502 West Office Center Drive, Fort Washington, PA 19034, USA. 2002 - 2004
  • Lilly Research Laboratories, Eli Lilly and Co., Indianapolis, USA. 2002

References

  1. A predictive ligand-based Bayesian model for human drug-induced liver injury. Ekins, S., Williams, A.J., Xu, J.J. Drug Metab. Dispos. (2010) [Pubmed]
  2. Precompetitive preclinical ADME/Tox data: set it free on the web to facilitate computational model building and assist drug development. Ekins, S., Williams, A.J. Lab. Chip (2010) [Pubmed]
  3. Challenges predicting ligand-receptor interactions of promiscuous proteins: the nuclear receptor PXR. Ekins, S., Kortagere, S., Iyer, M., Reschly, E.J., Lill, M.A., Redinbo, M.R., Krasowski, M.D. PLoS Comput. Biol. (2009) [Pubmed]
  4. A turning point for blood-brain barrier modeling. Ekins, S., Tropsha, A. Pharm. Res. (2009) [Pubmed]
  5. Evolution of pharmacologic specificity in the pregnane X receptor. Ekins, S., Reschly, E.J., Hagey, L.R., Krasowski, M.D. BMC Evol. Biol. (2008) [Pubmed]
  6. Computational discovery of novel low micromolar human pregnane X receptor antagonists. Ekins, S., Kholodovych, V., Ai, N., Sinz, M., Gal, J., Gera, L., Welsh, W.J., Bachmann, K., Mani, S. Mol. Pharmacol. (2008) [Pubmed]
  7. Molecular characterization of CYP2B6 substrates. Ekins, S., Iyer, M., Krasowski, M.D., Kharasch, E.D. Curr. Drug Metab. (2008) [Pubmed]
  8. Human pregnane X receptor antagonists and agonists define molecular requirements for different binding sites. Ekins, S., Chang, C., Mani, S., Krasowski, M.D., Reschly, E.J., Iyer, M., Kholodovych, V., Ai, N., Welsh, W.J., Sinz, M., Swaan, P.W., Patel, R., Bachmann, K. Mol. Pharmacol. (2007) [Pubmed]
  9. Three-dimensional quantitative structure-activity relationship analysis of human CYP51 inhibitors. Ekins, S., Mankowski, D.C., Hoover, D.J., Lawton, M.P., Treadway, J.L., Harwood, H.J. Drug Metab. Dispos. (2007) [Pubmed]
  10. In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling. Ekins, S., Mestres, J., Testa, B. Br. J. Pharmacol. (2007) [Pubmed]
  11. Future directions for drug transporter modelling. Ekins, S., Ecker, G.F., Chiba, P., Swaan, P.W. Xenobiotica (2007) [Pubmed]
  12. Classification of metabolites with kernel-partial least squares (K-PLS). Embrechts, M.J., Ekins, S. Drug Metab. Dispos. (2007) [Pubmed]
  13. In silico pharmacology for drug discovery: applications to targets and beyond. Ekins, S., Mestres, J., Testa, B. Br. J. Pharmacol. (2007) [Pubmed]
  14. 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.V., Savchuk, N., Ivanenkov, Y. J. Med. Chem. (2006) [Pubmed]
  15. Application of data mining approaches to drug delivery. Ekins, S., Shimada, J., Chang, C. Adv. Drug Deliv. Rev. (2006) [Pubmed]
  16. Predicting undesirable drug interactions with promiscuous proteins in silico. Ekins, S. Drug Discov. Today (2004) [Pubmed]
  17. Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel. Ekins, S., Crumb, W.J., Sarazan, R.D., Wikel, J.H., Wrighton, S.A. J. Pharmacol. Exp. Ther. (2002) [Pubmed]
  18. Three-dimensional quantitative structure-activity relationships of inhibitors of P-glycoprotein. Ekins, S., Kim, R.B., Leake, B.F., Dantzig, A.H., Schuetz, E.G., Lan, L.B., Yasuda, K., Shepard, R.L., Winter, M.A., Schuetz, J.D., Wikel, J.H., Wrighton, S.A. Mol. Pharmacol. (2002) [Pubmed]
  19. Towards a new age of virtual ADME/TOX and multidimensional drug discovery. Ekins, S., Boulanger, B., Swaan, P.W., Hupcey, M.A. J. Comput. Aided Mol. Des. (2002) [Pubmed]
  20. Towards a new age of virtual ADME/TOX and multidimensional drug discovery. Ekins, S., Boulanger, B., Swaan, P.W., Hupcey, M.A. Mol. Divers. (2002) [Pubmed]
 
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