Below are selected publications from 2006; please check here to cite the use of Prime
- • ö Zhu, K.; Pincus, D. L.; Zhao, S.; Friesner, R. A., "Long Loop Prediction Using the Protein Local Optimization Program," Proteins: Structure, Function, and Bioinformatics, 2006, 65, 438-452
- • Groban, E. S.; Narayanan, A.; Jacobson, M. P., "Conformational Changes in Protein Loops and Helices Induced by Post-Translational Phosphorylation," PLoS Computational Biology, 2006, 2, 238-250
- • Huang, N.; Kalyanaraman, C.; Bernacki, K.; Jacobson, M. P., "Molecular mechanics methods for predicting protein-ligand binding," Phys. Chem. Chem. Phys., 2006, 8, 5166-5177
- • Rezai, T.; Bock, J. E.; Vong, M.; Lokey, R. S.; Jacobson, M. P., "Conformational flexibility, internal hydrogen bonding, and passive membrane permeability: Successful in silico prediction of the relative permeabilities of cyclic peptides," J. Am. Chem. Soc, 2006, 128, 14073-14080
- • Lyne, P. D.; Lamb, M. L.; Saeh, J. C., "Accurate Prediction of the Relative Potencies of Members of a Series of Kinase Inhibitors Using Molecular Docking and MM-GBSA Scoring," J. Med. Chem., 2006, 49, 4805-4808
- • ö Yu, Z.; Jacobson, M. P.; Friesner, R. A., "What role do surfaces play in GB models? A new generation of surface-generalized Born model based on a novel Gaussian surface for biomolecules," J. Comp. Chem., 2006, 27, 72-89
- ö indicates papers (co)authored by Schrödinger scientist(s).