| Publications | Product(s) Referenced | Publication Year | |
|---|---|---|---|
| ö | "Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects" Sherman, W.; Day, T.; Jacobson, M. P.; Friesner, R. A.; Farid, R., J. Med. Chem., 2006, 49, 534-553 | Induced Fit | 2006 |
| ö | "Use of an Induced Fit Receptor Structure in Virtual Screening" Sherman, W.; Beard, H. S.; Farid, R., Chemical Biology & Drug Design, 2006, 67, 83-84 | Induced Fit | 2006 |
| "Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters" Kevin J. Bowers, Edmond Chow, Huafeng Xu, Ron O. Dror, Michael P. Eastwood, Brent A. Gregersen, John L. Klepeis, Istvan Kolossvary, Mark A. Moraes, Federico D. Sacerdoti, John K. Salmon, Yibing Shan, and David E. Shaw, Proceedings of the ACM/IEEE Conference on Supercomputing (SC06), Tampa, Florida, 2006, , November 11-17 | Desmond | 2006 | |
| "PIPER: An FFT-based protein docking program with pairwise potentials" Kozakov, D.; Brenke, R.; Comeau, S.R.; Vajda, S., Proteins, 2006, 65, 392-406 | PIPER | 2006 | |
| "Predicting Enantioselectivity: Computation as an Efficient "Experimental" Tool for Probing Enantioselectivity" Ragusa, A.; Hayes, J. M.; Light, M. E.; Kilburn, J. D., Eur. J. Org. Chem., 2006, 16, 3545-3549 | MacroModel | 2006 | |
| "Exploration of the conformational space of a polymeric material that inhibits human immunodeficiency virus" Ercanli, T.; Boyd, D.B., J. Chem. Inf. Model., 2006, 46, 1321-1333 | MacroModel | 2006 | |
| 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 |
ö indicates papers (co)authored by Schrödinger scientist(s).