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

• •  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.; Ojeda, M. J.; González-Abuin, N.; Sala, E.; Cereto-Massagué, A.; Mulero, M.; Valls, C.; Pinent, M.; Ardévol, A.; Garcia-Vallvé, S.; Pujadas, G., "Identification of Novel Human Dipeptidyl Peptidase-IV Inhibitors of Natural Origin (Part I): Virtual Screening and Activity Assays," PLoS One, 2012, 7(9), e44971
• •  Durdagi, S.; Duff, H.J.; Noskov, S.Y., "Combined receptor and ligand-based approach to the universal pharmacophore model development for studies of drug blockade to the hERG1 pore domain," J. Chem. Inf. Model., 2011, 51, 463-74
• •  Brogi, S.; Corelli, F.; Di Marzo, V.; Ligresti, A.; Mugnaini, C.; Pasquini, S.; Tafi, A., "Three-dimensional quantitative structure-selectivity relationships analysis guided rational design of a highly selective ligan for the cannabiniod receptor 2," Eur. J. Med. Chem., 2011, 46, 547-555
• •  ö  Sastry, G.M.; Dixon, S.L.; Sherman, W., "Rapid Shape-Based Ligand Alignment and Virtual Screening Method Based on Atom/Feature-Pair Similarities and Volume Overlap Scoring," J. Chem. Inf. Model., 2011, 51, 2455-2466
• •  Yoo, J.; Medina-Franco, J.L., "Homology modeling, docking and structure-based pharmacophore of inhibitors of DNA methyltransferase," J. Comput. Aided Mol. Des., 2011, 25, 555-567
• •  Yoo, J.; Medina-Franco, J.L., "Trimethylaurintricarboxylic Acid Inhibits Human DNA Methyltransferase 1: Insights From Enzymatic and Molecular Modeling Studies," J. Mol. Model., Article ASAP, 2011, 18(4), 1583-1589
• •  Tawari, N. R.; Degani, M. S., "Pharmacophore Mapping and Electronic Feature Analysis for a Series of Nitroaromatic Compounds with Antitubercular Activity," J. Comput. Chem., 2010, 31, 739–751
• •  Bag, S.; Tawari, N. R.; Degani, M. S., "Insight into Inhibitory Activity of Mycobacterial Dihydrofolate Reductase Inhibitors by In-silico Molecular Modeling Approaches," QSAR Comb. Sci., 2009, 28, 296-311
• •  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
• •  Hall, M. D.; Salam, N. K.; Hellawell, J. L.; Fales, H. M.; Kensler, C. B.; Ludwig, J. A.; Szakács, G.; Hibbs, D. E.; Gottesman, M. M., "Synthesis, Activity, and Pharmacophore Development for Isatin-β-thiosemicarbazones with Selective Activity toward Multidrug-Resistant Cells ," J. Med. Chem. , 2009, 52, 3191–3204
• •  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
• •  Tawari, N. R.; Bag, S.; Degani, M. S., "Pharmacophore mapping of a series of pyrrolopyrimidines, indolopyrimidines and their congeners as multidrug resistance-associated protein (MRP1) modulators," J. Mol. Model., 2008, 14, 911–921
• •  Kumar, R. J.; Chebib, M.; Hibbs, D. E.; Kim, H.; Johnston, G. A. R.; Salam, N. K.; Hanrahan, J. R., "Novel γ-Aminobutyric Acid ρ1 Receptor Antagonists; Synthesis, Pharmacological Activity and Structure−Activity Relationships ," J. Med. Chem. , 2008, 51, 3825-3840
• •  Shamovsky, I.; Connolly, S.; David, L.; Ivanova, S.; Nordé, B.; Springthorpe, B.; Urbahns, K., "Overcoming Undesirable hERG Potency of Chemokine Receptor Antagonists Using Baseline Lipophilicity Relationships," J. Med. Chem., 2008, 51, 1162-1178
• •  Lather, V.; Kristam, R.; Saini, J.; Karthikeyan, N.; Balaji, V., "QSAR models for prediction of glycogen synthase kinase-3β inhibitory activity of indirubin derivatives ," QSAR and Combinatorial Science , 2008, 27, 718-728
• •  Telvekar, V.; Kundaikar, H.; Patel, K.; Chaudhari, H., "3-D QSAR and molecular docking studies on aryl benzofuran-2-yl ketoxime derivatives as candida albicans N-myristoyl transferase inhibitors," QSAR and Combinatorial Science, 2008, 27, 1193-1203
• •  Anghelescu, A. V.; DeLisle, R. K.; Lowrie, J. F.; Klon, A. E.; Xie, X.; Diller, D. J., "Technique for Generating Three-Dimensional Alignments of Multiple Ligands from One-Dimensional Alignments," J. Chem. Inf. Model., 2008, 48, 1041-1054
• •  Gerlach, C.; Broughton, H.; Zaliani, A., "FTree query construction for virtual screening: a statistical analysis," J. Comput. Aided Mol. Des., 2008, 22, 111-118
• •  Jacobsson, M.; Garedal, M.; Schultz, J.; Karle?n, A., "Identification of Plasmodium falciparum Spermidine Synthase Active Site Binders through Structure-Based Virtual Screening," J. Med. Chem., 2008, 51, 2777–2786
• •  Narkhede, S. S.; Degani, M. S., "Pharmacophore Refinement and 3D-QSAR Studies of Histamine H3 Antagonists," QSAR Comb. Sci., 2007, 26, 744–753
• •  Evans, D.A.; Doman, T.N.; Thorner, D.A.; Bodkin, M.J., "3D QSAR Methods: Phase and Catalyst Compared," J. Chem. Inf. Model, 2007, 47, 1248-1257
• •  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 indicates papers (co)authored by Schrödinger scientist(s).