Some recent publications include:

• Gherman, B. F.; Lippard, S. J.; Friesner R. A., "Substrate hydroxylation in methane monooxygenase: Quantitative modeling via mixed quantum mechanics/molecular mechanics techniques", J. Am. Chem. Soc., 2005, 127, 1025-1037.
• 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.
• Guallar, V.; Jacobson, M.; McDermott, A.; Friesner, R. A., "Computational Modeling of the Catalytic Reaction in Triosephosphate Isomerase", J. Molec., Biol., 2004, 337, 227-239.
• Baik, M.; Friesner, R. A.; Lippard, S. J., "Theoretical Study of Cisplatin Binding to Purine Bases: Why Does Cisplatin Prefer Guanine over Adenine as Substrate?" J. Am. Chem. Soc., 2003, 125, 14082-14092.
• Baik, M.; Newcomb, M.; Friesner, R. A.; Lippard, S. J., "Mechanistic Studies on the Hydroxylation of Methane by Methane Monooxygenase", Chemical Reviews, 2003, 103, 2385-2419.
• Guallar, V.; Baik, M.; Lippard, S. J.; Friesner, R. A., "Peripheral heme substituents control the hydrogen-atom abstraction chemistry in cytochromes P450", Proc. Nat. Acad. Sci. USA, 2003, 100, 6998-7002.
• Friesner, R. A.; Baik, M.; Guallar, V.; Gherman, B. F.; Wirstam, M.; Murphy, R. B.; Lippard, S. J., "How iron-containing proteins control dioxygen chemistry: a detailed atomic level description via accurate quantum chemical and mixed quantum mechanics/molecular mechanics calculations", Coordination Chemistry Reviews, 2003, 238-239, 267-290.
• Wirstam, M; Lippard, S.J.; Friesner, R.A., "Reversible dioxygen binding to hemerythrin", J. Am. Chem. Soc. 2003, 125, 3980-3987.
• Baik, M.; Gherman, B. F.; Friesner, R. A., Lippard, S. J., "Hydroxylation of Methane by Non-Heme Diiron Enzymes: Molecular Orbital Analysis of the C-H Bond Activation by Reactive Intermediate Q", J. Am. Chem. Soc., 2002, 124, 14608-14615.
• Murphy, R. B.; Philipp, D. M.; Friesner, R. A., "A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments", J. Comp. Chem., 2000, 21, 1442-1457.
• Philipp, D. M.; Friesner, R. A., "Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide", J. Comp. Chem., 1999, 20, 1468-1494.