Victor Guallar Tasies

2023

• Rational engineering of AA5_2 copper radical oxidases to probe the molecular determinants governing their substrate selectivity

  The FEBS Journal

  R. Koncitikova, L. Zuily, E. Lemarié, D. Ribeaucourt, S. Saker, M. Haon, H. Brumer, V. Guallar, J‐G. Berrin, and M. Lafond
• Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures

  Journal of Chemical Information and Modeling

  A. M. Díaz-Rovira, H. Martín, T. Beuming, L. Díaz, V. Guallar, and S. S. Ray
• AsiteDesign: a Semirational Algorithm for an Automated Enzyme DesignAsiteDesign: a Semirational Algorithm for an Automated Enzyme Design

  The Journal of Physical Chemistry B

  S. Roda, H. Terholsen, J. Ruth Heike Meyer, A. Cañellas-Solé, V. Guallar, U. Bornscheuer, and M. Kazemi

2022

• A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions

  Angewandte Chemie International Edition

  S. Roda, L. Fernandez‐Lopez, M. Benedens, A. Bollinger, S. Thies, J. Schumacher, C. Coscolín, M. Kazemi, G. Santiago, C. G. W. Gertzen, J. L. Gonzalez‐Alfonso, F. J. Plou, K‐E. Jaeger, S. H. J. Smits, M. Ferrer, and V. Guallar
• EP-Pred: A Machine Learning Tool for Bioprospecting Promiscuous Ester Hydrolases

  Biomolecules

  R. Xiang, L. Fernandez-Lopez, A. Robles-Martín, M. Ferrer, and V. Guallar
• Design and Characterization of In-One Protease-Esterase PluriZyme

  International Journal of Molecular Sciences

  L. Fernandez-Lopez, S. Roda, J. L. Gonzalez-Alfonso, F. J. Plou, V. Guallar, and M. Ferrer
• Recent PELE Developments and Applications in Drug Discovery Campaigns

  International Journal of Molecular Sciences

  I. Puch-Giner, A. Molina, M. Municoy, C. Perez, and V. Guallar
• Tandem metalloenzymes gate plant cell entry by pathogenic fungi

  Science Advances

  B. Bissaro, S. Kodama, T. Nishiuchi, A. Maria Díaz-Rovira, H. Hage, D. Ribeaucourt, M. Haon, S. Grisel, J. A. Simaan, F. Beisson, S. M. Forget, H. Brumer, M-N. Rosso, V. Guallar, R. O’Connell, M. Lafond, Y. Kubo, and J-G. Berrin
• Small molecule interactions with the SARS-CoV-2 main protease: In silico all-atom microsecond MD simulations, PELE Monte Carlo simulations, and determination of in vitro activity inhibition

  Journal of Molecular Graphics and Modelling

  J. Liang, E. Pitsillou, K. Ververis, V. Guallar, A. Hung, and T. C. Karagiannis
• Structural Elucidation and Engineering of a Bacterial Carbohydrate Oxidase

  Biochemistry

  A. Boverio, W. S. Widodo, L. L. Santema, H. J. Rozeboom, R. Xiang, V. Guallar, A. Mattevi, and M. W. Fraaije