Publications
| "Homology models of dipeptidyl peptidases 8 and 9 with a focus on loop predictions near the active site" Rummey, C.; Metz, G., Proteins: Structure, Function, and Bioinformatics, 2007, 66, 160-171 | Prime | 2007 | |
| "Selective chemical probe inhibitor of Stat3, identified through structure-based virtual screening, induces antitumor activity" Siddiquee, K.; Zhang, S.; Guida, W.C.; Blaskovich, M.A.; Greedy, B.; Lawrence, H.R.; Yip, M.L.; Jove, R.; McLaughlin, M.M.; Lawrence, N.J.; Sebti, S.M.; Turkson J., Proc. Natl. Acad. Sci., 2007, 104, 7391–7396 | Glide | 2007 | |
| "Comparative Performance of Several Flexible Docking Programs and Scoring Functions: Enrichment Studies for a Diverse Set of Pharmaceutically Relevant Targets" Zhou, Z.; Felts, A. K.; Friesner, R. A.; Levy, R. M., J. Chem. Inf. Model, 2007, 47, 1599–1608 | Glide | 2007 | |
| "Evaluation of docking programs for predicting binding of Golgi alpha-mannosidase II inhibitors: A comparison with crystallography" Englebienne, P.; Fiaux, H.; Kuntz, D. A.; Corbeil, C. R.; Gerber-Lemaire, S.; Rose, D. R.; Moitessier, N., Proteins: Structure, Function, and Bioinformatics, 2007, 69, 160–176 | Glide | 2007 | |
| "1,2,3-Thiadiazole substituted pyrazolones as potent KDR/VEGFR-2 kinase inhibitors" Tripathy, R.; Ghose, A.; Singh, J.; Bacon, E. R.; Angeles, T. S.; Yang, S. X.; Albom, M. S.; Aimone, L. S.; Herman, J. L.; Mallamo, J. P., Bioorg. Med. Chem. Lett., 2007, 17, 1793–1798 | Glide | 2007 | |
| "Intermediates in dioxygen activation by methane monooxygenase: a QM/MM study" Rinaldo, D.; Philipp, D.M.; Lippard, S.J.; & Friesner, R.A., J. Am. Chem. Soc., 2007, 129, 3135-3147 | QSite | 2007 | |
| "Pose prediction accuracy in docking studies and enrichment of actives in the active site of GSK-3v" Gadakar, P.K.; Phukan, S.; Dattatreya, P.; Balaji, V.N., J. Chem. Inf. Model., 2007, 47, 1446-1459 | LigPrep | 2007 | |
| "Theoretical and Spectroscopic Study of Nickel(II) Porphyrin Derivatives" Berrios, C.; Cardenas-Jiron, G.; Marco, J.; Gutierrez, C.; Ureta-Zanartu, M., J. Phys. Chem. A, 2007, 111, 2706-2714 | Jaguar | 2007 | |
| "Single-Site Vanadyl Activation, Functionalization, and Reoxidation Reaction Mechanism for Propane Oxidative Dehydrogenation on the Cubic V4O10 Cluster" Cheng, M.; Chenoweth, K.; Oxgaard, J.; vanDuin, A.; Goddard, W., J. Phys. Chem. C, 2007, 111, 5115-5127 | Jaguar | 2007 | |
| "Unprecedented Formation of Azulenylidene Ligands by Reaction of the Vinylidene Ligand in Arylvinylidene Pentacarbonyl Complexes of Chromium and Tungsten with Alkoxyacetylenes" Hagmayer, S.; Früh, A.; Haas, T.; Drexler, M.; Fischer, H., Organometallics, 2007, 26, 3791-3801 | Jaguar | 2007 |
ö indicates papers (co)authored by Schrödinger scientist(s).