Below are selected publications from 2002; please check here to cite the use of MacroModel
- • Taggi, A. E.; Hafez, A. M.; Dudding, T.; Lectka, T., "Molecular mechanics calculations as predictors of enantioselectivity for chiral nucleophile catalyzed reactions," Tetrahedron, 2002, 58, 8351-8356
- • Hoye, T. R.; Ayyad, S.-E. N.; Eklov, B. M.; Hashish, N. E.; Shier, W. T.; El Sayed, K. A.; Hammann, M. T., "Toward Computing Relative Configurations: 16-epi-Latrunculin B, a New Stereoisomer of the Actin Polymerization Inhibitor Latrunculin B ," J. Am. Chem. Soc. , 2002, 124, 7405-7410
- • Guvench, O.; Weiser, J.; Shenkin, P.S.; Kolossváry, I.; Still, W.C., "Application of the Frozen Atom Approximation to the GB/SA Continuum Model for Solvation Free Energy ," J. Comput. Chem., 2002, 23, 214-221
- • Gawley, R. E.; Pinet, S.; Cardona, C. M.; Datta, P. K.; Ren, T.; Guida, W. C.; Nydick, J.; Leblanc, R. M., "Chemosensors for the Marine Toxin Saxitoxin," J. Am. Chem. Soc., 2002, 124, 13448-13453
- ö indicates papers (co)authored by Schrödinger scientist(s).