Below are selected publications from 2004; please check here to cite the use of QSite

• •  ö  Guallar, V.; Jacobson, M. P.; McDermott, A.; Friesner, R. A., "Computational Modeling of the Catalytic Reaction in Triosephosphate Isomerase," J. Mol. Biol., 2004, 337, 227-239
• •  Gherman, B. F.; Baik, M.; Lippard, S. J.; Friesner, R. A., "Dioxygen Activation in Methane Monooxygenase: A Theoretical Study," J. Am. Chem. Soc., 2004, 126, 2978-2990
• •  Guallar, V.; Friesner, R. A., "Cytochrome P450CAM Enzymatic Catalysis Cycle: A Quantum Mechanics/Molecular Mechanics Study," J. Am. Chem. Soc. , 2004, 126, 8501-8508
• •  Gherman, B.F.; Goldberg, S. D.; Cornish, V. W.; Friesner, R. A., "Mixed Quantum Mechanical/ Molecular Mechanical (QM/MM) Study of the Deacylation Reaction in a Penicillin Binding Protein (PBP) Versus in a Class C β-Lactamase ," J. Am. Chem. Soc. , 2004, 126, 7652-7664

• ö indicates papers (co)authored by Schrödinger scientist(s).