Publications

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2006
Altun, A., Guallar, V., Friesner, R.A., Shaik, S. & Thiel, W. The effect of heme environment on the hydrogen abstraction reaction of camphor in P450cam catalysis: a QM/MM study. Journal of the American Chemical Society 128, 3924-5 (2006).
2004
Guallar, V. & Friesner, R.A. Cytochrome P450CAM enzymatic catalysis cycle: a quantum mechanics/molecular mechanics study. Journal of the American Chemical Society 126, 8501-8 (2004).
2003
Guallar, V., Baik, M.-H., Lippard, S.J. & Friesner, R.A. Peripheral heme substituents control the hydrogen-atom abstraction chemistry in cytochromes P450. Proceedings of the National Academy of Sciences of the United States of America 100, 6998-7002 (2003).
2002
Guallar, V., Gherman, B.F., Miller, W.H., Lippard, S.J. & Friesner, R.A. Dynamics of alkane hydroxylation at the non-heme diiron center in methane monooxygenase. Journal of the American Chemical Society 124, 3377-84 (2002).