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2021

Stable neutralizing antibody levels 6 months after mild and severe COVID-19 episodes

Med

E. Pradenas, B. Trinité, V. Urrea, S. Marfil, C. Ávila-Nieto, M. Luisa Rodr de la Concepción, F. Tarrés-Freixas, S. Pérez-Yanes, C. Rovirosa, E. Ainsua-Enrich, J. Rodon, J. Vergara-Alert, J. Segalés, V. Guallar, A. Valencia, N. Izquierdo-Useros, R. Paredes, L. Mateu, A. Chamorro, M. Massanella, J. Carrillo, B. Clotet, and J. Blanco
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

UEP: an open-source and fast classifier for predicting the impact of mutations in protein–protein complexesAbstractMotivationResultsAvailability and implementationSupplementary information

Bioinformatics

P. Amengual-Rigo, J. Fernández-Recio, and V. Guallar
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

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