Below are selected publications from all recent years; please check here to cite the use of e-Pharmacophores

• •  Guasch, L.; Sala, E.; Ojeda, M.J.; Valls, C.; Bladé, C., "Identification of Novel Human Dipeptidyl Peptidase-IV Inhibitors of Natural Origin (Part II): In Silico Prediction in Antidiabetic Extracts," PLoS ONE, 2012, 7(9), e44972. doi:10.1371/journal.pone.0044972
• •  Guasch, L.; Ojeda, M.J.; González-Abuín, N.; Sala, E.; Cereto-Massagué, A., "Identification of Novel Human Dipeptidyl Peptidase-IV Inhibitors of Natural Origin (Part I): Virtual Screening and Activity Assay," PLoS ONE, 2012, 7(9), e44971. doi:10.1371/journal.pone.0044971
• •  Singh, Kh.D.; Kirubakaran, P.; Nagarajan, S.; Sakkiah, S.; Muthusamy, K.; Velmurgan, D.; Jeyakanthan, J., "Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease," J. Mol. Model., 2012, 18(1), 39-51
• •  Nagamani, S.; Kesavan, C.; Muthusamy, K., "E-Pharmacophore mapping and docking studies on Vitamin D receptor (VDR)," Bioinformation, 2012, 8(15), 705-10
• •  Singh, D.V.; Godbole, M.M.; Misra, K., "A plausible explanation for enhanced bioavailability of P-gp substrates in presence of piperine: simulation for next generation of P-gp inhibitors," J. Mol. Model., 2012
• •  ö  Salam, N. K.; Nuti, R.; Sherman, W., "Novel Method for Generating Structure-Based Pharmacophores Using Energetic Analysis," J. Chem. Inf. Model., 2009, 49, 2356–2368
• •  ö  Loving, K.; Salam, N. K.; Sherman, W, "Energetic analysis of fragment docking and application to structure-based pharmacophore hypothesis generation," J. Comput. Aided Mol. Des., 2009, 23, 541–554
• •  ö  Dixon, S. L.; Smondyrev, A. M.; Knoll, E. H.; Rao, S. N.; Shaw, D. E.; Friesner, R. A., "PHASE: A New Engine for Pharmacophore Perception, 3D QSAR Model Development, and 3D Database Screening. 1. Methodology and Preliminary Results," J. Comput. Aided Mol. Des., 2006, 20, 647-671
• •  ö  Dixon, S. L.; Smondyrev, A. M.; Rao, S. N., "PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching," Chem. Biol. Drug Des., 2006, 67, 370-372
• •  ö  Friesner, R. A.; Murphy, R. B.; Repasky, M. P.; Frye, L. L.; Greenwood, J. R.; Halgren,T. A.; Sanschagrin, P. C.; Mainz, D. T., "Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein-Ligand Complexes," J. Med. Chem., 2006, 49, 6177–6196

• ö indicates papers (co)authored by Schrödinger scientist(s).