Hi Kishna,

Below are selected publications from all recent years.

• Palakurti, R.; Sriram, D.; Yogeeswari, P.; Vadrevu, R., "Multiple e-Pharmacophore Modeling Combined with High-Throughput Virtual Screening and Docking to Identify Potential Inhibitors of β-Secretase(BACE1)," Mol. Inf., 2013, 32, 385-398

• 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, 19(1), 227-238

• 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).