Victor Guallar Tasies

2017

• Interactive GPU-based generation of solvent-excluded surfaces

  The Visual Computer

  P. Hermosilla, M. Krone, V. Guallar, P-P. V?zquez, ?lvar. Vinacua, and T. Ropinski
• Probing the Surface of a Laccase for Clues towards the Design of Chemo-Enzymatic Catalysts

  ChemPlusChem

  V. Robert, E. Monza, L. Tarrago, F. Sancho, A. De Falco, L. Schneider, E. Npetgat Ngoutane, Y. Mekmouche, P. Rousselot Pailley, J. A. Simaan, V. Guallar, and T. Tron
• Simulating Substrate Recognition and Oxidation in Laccases: From Description to Design

  Journal of Chemical Theory and Computation

  M F. Lucas, E. Monza, L. J. Jørgensen, H. A. Ernst, K. Piontek, M. J. Bjerrum, A. T. Martínez, S. Camarero, and V. Guallar
• Exploring Binding Mechanisms in Nuclear Hormone Receptors by Monte Carlo and X-ray-derived Motions

  Biophysical Journal

  C. Grebner, D. Lecina, V. Gil, J. Ulander, P. Hansson, A. Dellsen, C. Tyrchan, K. Edman, A. Hogner, and V. Guallar
• Physics-Based Visual Characterization of Molecular Interaction Forces

  IEEE Transactions on Visualization and Computer Graphics

  P. Hermosilla, J. Estrada, V. Guallar, T. Ropinski, A. Vinacua, and P-P. Vázquez

2016

• Re-designing the substrate binding pocket of laccase for enhanced oxidation of sinapic acid

  Catalysis Science & Technology

  I.. Pardo, G.. Santiago, P.. Gentili, F.. Lucas, E.. Monza, F.. J. Medrano, C.. Galli, A.. T. Martínez, V. Guallar, and S.. Camarero
• Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase

  Catalysis Science & Technology

  D. Linde, M. Cañellas, C. Coscolín, I. Davó-Siguero, A. Romero, F. Lucas, F. J. Ruiz-Dueas, V. Guallar, and A. T. Martínez
• The unravelling of the complex pattern of tyrosinase inhibition

  Scientific Reports

  B. Deri, M. Kanteev, M. Goldfeder, D. Lecina, V. Guallar, N. Adir, and A. Fishman
• Computational Prediction of HIV-1 Resistance to Protease Inhibitors

  Journal of Chemical Information and Modeling

  A. Hosseini, A. Alibés, M. Noguera-Julian, V. Gil, R. Paredes, R. Soliva, M. Orozco, and V. Guallar
• Active-Site-Directed Inhibitors of Prolyl Oligopeptidase Abolish Its Conformational Dynamics

  ChemBioChem

  A. López, F. Herranz-Trillo, M. Kotev, M. Gairí, V. Guallar, P. Bernadó, O. Millet, T. Tarragó, and E. Giralt