Victor Guallar Tasies

2022

• 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
• Investigation of small molecule inhibitors of the SARS-CoV-2 papain-like protease by all-atom microsecond modelling, PELE Monte Carlo simulations, and in vitro activity inhibition

  Chemical Physics Letters

  J. J. Liang, E. Pitsillou, K. Ververis, V. Guallar, A. Hung, and T. C. Karagiannis
• Metagenomic Mining for Esterases in the Microbial Community of Los Rueldos Acid Mine Drainage Formation

  Frontiers in Microbiology

  P. Vidal, M. Martínez-Martínez, L. Fernandez-Lopez, S. Roda, C. Méndez-García, O. V. Golyshina, V. Guallar, A. I. Peláez, and M. Ferrer
• Chronological brain lesions after SARS-CoV-2 infection in hACE2-transgenic mice

  Veterinary Pathology

  E. Vidal, C. López-Figueroa, J. Rodon, M. Pérez, M. Brustolin, G. Cantero, V. Guallar, N. Izquierdo-Useros, J. Carrillo, J. Blanco, B. Clotet, J. Vergara-Alert, and J. Segalés
• 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
• Are Deep Learning Structural Models Sufficiently Accurate for Free-Energy Calculations? Application of FEP+ to AlphaFold2-Predicted Structures

  Journal of Chemical Information and Modeling

  T. Beuming, H. Martín, A. M. Díaz-Rovira, L. Díaz, V. Guallar, and S. S. Ray
• Heterogeneous Infectivity and Pathogenesis of SARS-CoV-2 Variants Beta, Delta and Omicron in Transgenic K18-hACE2 and Wildtype Mice

  Frontiers in Microbiology

  F. Tarrés-Freixas, B. Trinité, A. Pons-Grífols, M. Romero-Durana, E. Riveira-Muñoz, C. Ávila-Nieto, M. Pérez, E. Garcia-Vidal, D. Perez-Zsolt, J. Muñoz-Basagoiti, D. Raïch-Regué, N. Izquierdo-Useros, C. Andrés, A. Antón, T. Pumarola, I. Blanco, M. Noguera-Julian, V. Guallar, R. Lepore, A. Valencia, V. Urrea, J. Vergara-Alert, B. Clotet, E. Ballana, J. Carrillo, J. Segalés, and J. Blanco
• Clinical course impacts early kinetics,magnitude, and amplitude of SARS-CoV-2 neutralizing antibodies beyond 1 year after infection

  Cell Reports Medicine

  E. Pradenas, B. Trinité, V. Urrea, S. Marfil, F. Tarrés-Freixas, R. Ortiz, C. Rovirosa, J. Rodon, J. Vergara-Alert, J. Segalés, V. Guallar, A. Valencia, N. Izquierdo-Useros, M. Noguera-Julian, J. Carrillo, R. Paredes, L. Mateu, A. Chamorro, R. Toledo, M. Massanella, B. Clotet, and J. Blanco

2021

• Previous SARS-CoV-2 Infection Increases B.1.1.7 Cross-Neutralization by Vaccinated Individuals

  Viruses

  B. Trinité, E. Pradenas, S. Marfil, C. Rovirosa, V. Urrea, F. Tarrés-Freixas, R. Ortiz, J. Rodon, J. Vergara-Alert, J. Segalés, V. Guallar, R. Lepore, N. Izquierdo-Useros, G. Trujillo, J. Trapé, C. González-Fernández, A. Flor, R. Pérez-Vidal, R. Toledo, A. Chamorro, R. Paredes, I. Blanco, E. Grau, M. Massanella, J. Carrillo, B. Clotet, and J. Blanco