Victor Guallar Tasies

2017

• Adaptive simulations, towards interactive protein-ligand modeling

  Scientific Reports

  D. Lecina, J. F. Gilabert, and V. Guallar
• Molecular Modeling in Enzyme Design, Toward In Silico Guided Directed Evolution

  Directed Enzyme Evolution: Advances and Applications

  E. Monza, S. Acebes, M F. Lucas, 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
• Repurposing designed mutants: a valuable strategy for computer-aided laccase engineering – the case of POXA1b

  Catalysis Science & Technology

  V. GuidoGiacobelli, E. Monza, F. M. Lucas, C. Pezzella, A. Piscitelli, V. Guallar, and G. Sannia
• Mapping the Long-Range Electron Transfer Route in Ligninolytic Peroxidases

  The Journal of Physical Chemistry B

  S. Acebes, F. J. Ruiz-Due?as, M. Toubes, V. S?ez-Jim?nez, M. P?rez-Boada, M.. F.?tima Lucas, A. T. Mart?nez, and V. Guallar
• 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