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2011

Regulation of electron and proton transfer by the protein matrix of cytochrome c oxidase.

The journal of physical chemistry. B

V. Daskalakis, S. C. Farantos, V. Guallar, and C. Varotsis
Electron transfer pathways in cytochrome c oxidase.

Biochimica et biophysica acta

F. M. Lucas, D. L. Rousseau, and V. Guallar

2010

QM/MM methods: looking inside heme proteins biochemistry.

Biophysical chemistry

V. Guallar, and F. H. Wallrapp
QM/MM methods: looking inside heme proteins biochemistry.

Biophysical chemistry

V. Guallar, and F. Wallrapp

2009

Peroxide-dependent formation of a covalent link between Trp51 and the heme in cytochrome c peroxidase.

Biochemistry

Z. Pipirou, V. Guallar, J. Basran, C. L. Metcalfe, E. J. Murphy, A. R. Bottrill, S. C. Mistry, and E L. Raven

2008

Nitric oxide reactivity with globins as investigated through computer simulation.

Methods in enzymology

M. A. Marti, L. Capece, A. Bidon-Chanal, A. Crespo, V. Guallar, F J. Luque, and D. A. Estrin
Mapping protein electron transfer pathways with QM/MM methods.

Journal of the Royal Society, Interface / the Royal Society

V. Guallar, and F. Wallrapp
Heme electron transfer in peroxidases: the propionate e-pathway.

The journal of physical chemistry. B

V. Guallar
Electron transfer in the P450cam/PDX complex. The QM/MM e-pathway.

The journal of physical chemistry. A

F. Wallrapp, D. Masone, and V. Guallar

2007

A quantum-chemical picture of hemoglobin affinity.

Proceedings of the National Academy of Sciences of the United States of America

R. E. Alcantara, C. Xu, T. G. Spiro, and V. Guallar

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