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2016

Rational Enzyme Engineering Through Biophysical and Biochemical Modeling

ACS Catalysis

S. Acebes, E. Fernández-Fueyo, E. Monza, F. M. Lucas, D. Almendral, F. J. Ruiz-Dueñas, H. Lund, A. T. Martínez, and V. Guallar
Synthesis of 1-Naphthol by a Natural Peroxygenase engineered by Directed Evolution

ChemBioChem

P. Molina-Espeja, M. Cañellas, F. J. Plou, M. Hofrichter, F. Lucas, V. Guallar, and M. Alcalde
Molecular determinants for selective C25-hydroxylation of vitamins D2 and D3 by fungal peroxygenases

Catalysis Science & Technology

F. Lucas, E. D. Babot, M. Cañellas, J. C. del Rio, L. Kalum, R. Ullrich, M. Hofrichter, V. Guallar, A. T. Martínez, and A. Gutiérrez
Real-Time Molecular Visualization Supporting Diffuse Interreflections and Ambient Occlusion

IEEE Transactions on Visualization and Computer Graphics

R.. Skanberg, P.-P.. Vazquez, V. Guallar, and T.. Ropinski
High quality illustrative effects for molecular rendering

Computers & Graphics

P. Hermosilla, V. Guallar, A.. Vinacua, and P.P.. Vázquez

2015

Instant Visualization of Secondary Structures of Molecular Models

Eurographics Workshop on Visual Computing for Biology and Medicine

P. Hermosilla, V. Guallar, A. Vinacua, and P-P. Vázquez
Insights into Laccase Engineering from Molecular Simulations: Toward a Binding-Focused Strategy

Journal of Physical Chemistry Letters

E. Monza, F. M. Lucas, S. Camarero, L. C. Alejaldre, A. T. Martínez, and V. Guallar
Direct Measurement of the Nanomechanical Stability of a Redox Protein Active Site and Its Dependence upon Metal Binding

Journal of Physical Chemistry B

M. I. Giannotti, I. Cabeza de Vaca, J. M. Artés, F. Sanz, V. Guallar, and P. Gorostiza
Combined Use of Oligopeptides, Fragment Libraries, and Natural Compounds: A Comprehensive Approach To Sample the Druggability of Vascular Endothelial Growth Factor

ChemMedChem

N. Bayó-Puxan, R. Rodríguez-Mias, M. Goldflam, M. Kotev, S. Ciudad, C. J. Hipolito, M. Varese, H. Suga, R. Campos-Olivas, X. Barril, V. Guallar, M. Teixidó, J. García, and E. Giralt
New Monte Carlo Based Technique To Study DNA–Ligand Interactions

Journal of Chemical Theory and Computation

I. Cabeza de Vaca, M F. Lucas, and V. Guallar

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