| Publications | Product(s) Referenced | Publication Year | |
|---|---|---|---|
| ö | "Scanning tunneling microscopy and theoretical study of competitive reactions in the dissociative chemisorption of CCl4 on iron oxide surfaces" Rim, K.T.; Muller,T.; Fitts, J.P.; Adib, K.; Camillone, N.; Osgood, R.M.; Batista, E. R.; Friesner, R. A. ; Joyce, S. A.; Flynn, G. W., J. Phys. Chem. B., 2004, 108, 16753–16760 | Jaguar | 2004 |
| ö | "Reversible surface oxidation and efficient luminescence quenching in semiconductor single-wall carbon nanotubes" Dukovic, G.; White, B. E.; Zhou, Z. Y.; Wang, F.; Jockusch, S.; Steigerwald, M. L.; Heinz, T. F.; Friesner, R. A.; Turro, N. J.; Brus, L. E., J. Am. Chem. Soc., 2004, 126, 15269–15276 | Jaguar | 2004 |
| ö | "Electronic Structure of Tubular Aromatic Molecules derived from the Metallic (5,5) Armchair Single Wall Carbon Nanotube" Zhou, Z.; Steigerwald, M.; Hybertsen, M.; Brus, L.; Friesner, R. A., J. Am. Chem. Soc., 2004, 126, 3597–3607 | Jaguar | 2004 |
| ö | "Development of an Accurate and Robust Polarizable Molecular Mechanics Force Field from Ab Initio Quantum Chemistry" Kaminski, G. A.; Stern, H. A.; Berne, B. J.; Friesner, R. A., J. Phys. Chem. A, 2004, 108, 621–627 | Jaguar | 2004 |
| "Towards the design of host-guest complexes: biotin and urea derivatives versus artificial receptors" Claramunt, R. M.; Herranz, F.; Santa Maria, M. D.; Jaime, C.; de Federico, M.; Elguero, J., Biosens. Bioelectron., 2004, 20, 1242-1249 | MacroModel | 2004 | |
| "Thermodynamic and kinetic stability of synthetic multifunctional rigid-rod beta-barrel pores: Evidence for supramolecular catalysis" Litvinchuk, S.; Bollot, G.; Mareda, J.; Som, A.; Ronan, D.; Shah, M. R.; Perrottet, P.; Sakai, N.; Matile, S., J. Am. Chem. Soc., 2004, 126, 10067-10075 | MacroModel | 2004 | |
| "Global and local computational models for aqueous solubility prediction of drug-like molecules" Bergstrom, C. A. S.; Wassvik, C. M.; Norinder, U.; Luthman, K.; Artursson, P., J. Chem. Inf. Comput. Sci., 2004, 44, 1477-1488 | MacroModel | 2004 | |
| "Novel Bicyclic Sugar Modified Nucleosides: Synthesis, Conformational Analysis and Antiviral Evaluation" Kifli, N.; Htar, T. T.; De Clercq, E.; Balzarini, J.; Simons, C., Bioorg. Med. Chem., 2004, 12, 3247-3257 | MacroModel | 2004 | |
| "Biological and Conformational Study of Beta-Substituted Prolines in MT-II Template: Steric Effects Leading to Human MC5 Receptor Selectivity" Cai, M.; Cai, C.; Mayorov, A. V.; Xiong, C.; Cabello, C. M.; Soloshonok, V. A.; Swift, J. R.; Trivedi, D.; Hruby, V. J., J. Peptide Res. , 2004, 63, 116-131 | MacroModel | 2004 | |
| "3D-QSAR and Docking Studies on 4-Anilinoquinazoline and 4-Anilinoquinoline Epidermal Growth Factor Receptor (EGFR) Tyrosine Kinase Inhibitors" Assefa, H.; Kamath, S.; Buolamwini, J. K., J. Comput.-Aided Mol. Des., 2004, 17, 475-493 | MacroModel | 2004 |
ö indicates papers (co)authored by Schrödinger scientist(s).