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2012

Stereoselective Hydride Transfer by Aryl-Alcohol Oxidase, a Member of the GMC Superfamily.

Chembiochem : a European journal of chemical biology

A. Hernández-Ortega, P. Ferreira, P. Merino, M. Medina, V. Guallar, and A. T. Martínez

2011

Induced Fit Modelling with Monte Carlo techniques: protein Energy Landscape Exploration

11th Structure based Drug design (SBDD), Boston (USA)

V. Guallar
Substrate diffusion and oxidation in GMC oxidoreductases: an experimental and computational study on fungal aryl-alcohol oxidase.

The Biochemical journal

A. Hernández-Ortega, K. Borrelli, P. Ferreira, M. Medina, A. T. Martínez, and V. Guallar
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
A new view of the bacterial cytosol environment.

PLoS computational biology

B. P. Cossins, M. P. Jacobson, and V. Guallar
Modulating O2 reactivity in a fungal flavoenzyme: involvement of aryl-alcohol oxidase Phe-501 contiguous to catalytic histidine.

The Journal of biological chemistry

A. Hernández-Ortega, F. Lucas, P. Ferreira, M. Medina, V. Guallar, and A. T. Martínez
H-bond network optimization in protein-protein complexes: Are all-atom force field scores enough?

Proteins

D. Masone, I. Cabeza de Vaca, C. Pons, J. Fernández-Recio, and V. Guallar

2010

QM/MM e-pathway: mapping Electron transfer processes in proteins

ACS National Meeting –San Franciscisco(USA

F. Wallrap
QM/MM methods: looking inside heme proteins biochemistry.

Biophysical chemistry

V. Guallar, and F. H. Wallrapp

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