Victor Guallar Tasies

2021

• Structural-Based Modeling in Protein Engineering. A Must Do

  The Journal of Physical Chemistry B

  S. Roda, A. Robles-Martín, R. Xiang, M. Kazemi, and V. Guallar
• Structural-Based Modeling in Protein Engineering. A Must Do

  The Journal of Physical Chemistry B

  S. Roda, A. Robles-Martín, R. Xiang, M. Kazemi, and V. Guallar
• Comprehensive Insights into the Production of Long Chain Aliphatic Aldehydes Using a Copper-Radical Alcohol Oxidase as Biocatalys

  ACS Sustainable Chemistry & Engineering

  D. Ribeaucourt, B. Bissaro, V. Guallar, M. Yemloul, M. Haon, S. Grisel, V. Alphand, H. Brumer, F. Lambert, J-G. Berrin, and M. Lafond
• Computationally Driven Rational Design of Substrate Promiscuity on Serine Ester Hydrolases

  ACS Catalysis

  S. Roda, L. Fernandez-Lopez, R. Cañadas, G. Santiago, M. Ferrer, and V. Guallar

2020

• aquaPELE: A Monte Carlo-Based Algorithm to Sample the Effects of Buried Water Molecules in Proteins

  Journal of Chemical Theory and Computation

  M. Municoy, S. Roda, D. Soler, A. Soutullo, and V. Guallar
• 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