Victor Guallar Tasies

2020

• FragPELE: Dynamic Ligand Growing within a Binding Site. A Novel Tool for Hit-To-Lead Drug Design

  Journal of Chemical Information and Modeling

  C. Perez, D. Soler, R. Soliva, and V. Guallar
• Sequential oxidation of 5-hydroxymethylfurfural to furan-2,5-dicarboxylic acid by an evolved aryl-alcohol oxidase

  Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics

  J. Viña-González, A. T. Martínez, V. Guallar, and M. Alcalde

2019

• Atomistic simulations shed new light on the activation mechanisms of RORγ and classify it as Type III nuclear hormone receptor regarding ligand-binding paths

  Scientific Reports

  S. Saen-oon, E. Lozoya, V. Segarra, V. Guallar, and R. Soliva
• Structural and biochemical insights into an engineered high-redox potential laccase overproduced in Aspergillus

  International Journal of Biological Macromolecules

  F. de Salas, R. Cañadas, G. Santiago, A. Virseda-Jerez, J. Vind, P. Gentili, A. T. Martínez, V. Guallar, I. G. Muñoz, and S. Camarero
• PELE-MSM: A Monte Carlo Based Protocol for the Estimation of Absolute Binding Free Energies

  Journal of Chemical Theory and Computation

  J. F. Gilabert, C. Grebner, D. Soler, D. Lecina, M. Municoy, O. Gracia Carmona, R. Soliva, M. J. Packer, S. J. Hughes, C. Tyrchan, A. Hogner, and V. Guallar
• Engineering of a fungal laccase to develop a robust, versatile and highly-expressed biocatalyst for sustainable chemistry

  Green Chemistry

  F. de Salas, P. Aza, J. F. Gilabert, G. Santiago, S. Kilic, M. E. Sener, J. Vind, V. Guallar, A. T. Martínez, and S. Camarero
• Enhancing thermostability by modifying flexible surface loops in an evolved high‐redox potential laccase

  AIChE Journal

  A. I. Vicente, J. Viña‐Gonzalez, I. Mateljak, E. Monza, F. Lucas, V. Guallar, and M. Alcalde
• Modulating Fatty Acid Epoxidation vs Hydroxylation in a Fungal Peroxygenase

  ACS Catalysis

  J. Carro, A. González-Benjumea, E. Fernández-Fueyo, C. Aranda, V. Guallar, A. Gutiérrez, and A. T. Martínez
• Switching the substrate preference of fungal aryl-alcohol oxidase: towards stereoselective oxidation of secondary benzyl alcohols

  Catalysis Science & Technology

  A. Serrano, F. Sancho, J. Viña-González, J. Carro, M. Alcalde, V. Guallar, and A. T. Martínez
• Increasing Redox Potential, Redox Mediator Activity, and Stability in a Fungal Laccase by Computer-Guided Mutagenesis and Directed Evolution

  ACS Catalysis

  I. Mateljak, E. Monza, M F. Lucas, V. Guallar, O. Aleksejeva, R. Ludwig, D. Leech, S. Shleev, and M. Alcalde