Below are selected publications from 2001; please check here to cite the use of MacroModel
- • Bostrom, J., "Reproducing the conformations of protein-bound ligands: A critical evaluation of several popular conformational searching tools," J. Comput.-Aided Mol. Des., 2001, 15, 1137-1152
- • Reichert, D. E.; Norrby, P. O.; Welch, M. J., "Molecular modeling of bifunctional chelate peptide conjugates. 1. Copper and indium parameters for the AMBER force field," Inorg. Chem., 2001, 40, 5223-5230
- • Keseru, G. M.; Kolossvary, I., "Fully Flexible Low-Mode Docking: Application to Induced Fit in HIV Integrase," J. Am. Chem. Soc., 2001, 123, 12708-12709
- • Kolossvary, I.; Keseru, G. M., "Hessian-Free Low-Mode Conformational Search for Large-Scale Protein Loop Optimization: Application to c-jun N-Terminal Kinase JNK3," J. Comp. Chem., 2001, 22, 21-30
- • Thirumoorthy, R.; Holder, J. R.; Bauzo, R. M.; Richards, N. G. J.; Edison, A. S.; Haskell-Luevano, C., "Novel Agouti-Related-Protein-Based Melanocortin-1 Receptor Antagonist," J. Med. Chem., 2001, 44, 4114-4124
- • Greenidge, P.A; Weiser, J., "A Comparison of Methods for Pharmacophore Generation with the Catalyst Software and their Use for 3D-QSAR: Application to a Set of 4-aminopyridine Thrombin Inhibitors," Mini Rev. Med. Chem., 2001, 1, 79-87
- ö indicates papers (co)authored by Schrödinger scientist(s).