| Publications | Product(s) Referenced | Publication Year | |
|---|---|---|---|
| ö | "PHASE: A New Engine for Pharmacophore Perception, 3D QSAR Model Development, and 3D Database Screening. 1. Methodology and Preliminary Results" Dixon, S.L.; Smondyrev, A.M.; Knoll, E.H.; Rao, S.N.; Shaw, D.E.; Friesner, R.A., J. Comput. Aided Mol. Des., 2006, 20, 647-671 | Phase, e-Pharmacophores | 2006 |
| ö | "PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching" Dixon, S.L.; Smondyrev, A.M.; Rao, S.N., Chem. Biol. Drug Des., 2006, 67, 370-372 | Phase, e-Pharmacophores | 2006 |
| "Computer-Aided Design of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase" Jorgensen, W.L.; Ruiz-Caro, J.; Tirado-Rives, J.; Basavapathruni, A.; Anderson, K.S.; Hamilton, A.D., Bioorg. Med. Chem. Lett., 2006, 16, 663-667 | QikProp | 2006 | |
| "Solution-Phase Synthesis of a Tricyclic Pyrrole-2-Carboxamide Discovery Library Applying a Stetter-Paal-Knorr Reaction Sequence" Werner, S.; Iyer, P.; Fodor, M.; Coleman, C.; Twining, L.; Mitasev, B.; Brummond, K.M., J. Comb. Chem., 2006, 8, 368-380 | QikProp | 2006 | |
| "Conformational Changes in Protein Loops and Helices Induced by Post-Translational Phosphorylation" Groban, E. S.; Narayanan, A.; Jacobson, M. P., PLoS Computational Biology, 2006, 2, 238-250 | Prime | 2006 | |
| "Conformational flexibility, internal hydrogen bonding, and passive membrane permeability: Successful in silico prediction of the relative permeabilities of cyclic peptides" Rezai, T.; Bock, J. E.; Vong, M.; Lokey, R. S.; Jacobson, M. P., J. Am. Chem. Soc, 2006, 128, 14073-14080 | Prime, Membrane Permeability | 2006 | |
| "Accurate Prediction of the Relative Potencies of Members of a Series of Kinase Inhibitors Using Molecular Docking and MM-GBSA Scoring" Lyne, P. D.; Lamb, M. L.; Saeh, J. C., J. Med. Chem., 2006, 49, 4805-4808 | Prime | 2006 | |
| "Furan-2-ylmethylene thiazolidinediones as novel, potent, and selective inhibitors of phosphoinositide 3-kinase gamma" Pomel, V.; Klicic, J.; Covini, D.; Church, D.D.; Shaw, J.P.; Roulin, K.; Burgat-Charvillon, F.; Valognes, D.; Camps, M.; Chabert, C.; Gillieron, C.; Françon, B.; Perrin, D.; Leroy, D.; Gretener, D.; Nichols, A.; Vitte, P.A.; Carboni, S.; Rommel, C.; Schwa, J. Med. Chem., 2006, , 3857-3871 | Glide | 2006 | |
| ö | "Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein-Ligand Complexes" Friesner, R.A.; Murphy, R.B.; Repasky, M.P.; Frye, L.L.; Greenwood, J.R.; Halgren, T.A.; Sanschagrin, P.C.; Mainz, D.T., J. Med. Chem., 2006, 49, 6177–6196 | Glide, e-Pharmacophores | 2006 |
| "Modeling of Ligation-induced Helix/Loop Displacements in Myoglobin: Toward an Understanding of Hemoglobin Allostery" Guallar, V.; Jarzecki, A.A.; Friesner, R.A.; & Spiro, T.G., J. Am. Chem. Soc., 2006, 128, 5427-5435 | QSite | 2006 |
ö indicates papers (co)authored by Schrödinger scientist(s).