Influence of Association on Binding of Disaccharides to YKL-39 and hHyal-1 Enzymes

por Krzemińska, Agnieszka, Sánchez-Aparicio, José-Emilio, Maréchal, Jean-Didier, Paneth, Agata, Paneth, Piotr
Publicado 2022

GPathFinder: Identification of Ligand-Binding Pathways by a Multi-Objective Genetic Algorithm

por Sánchez-Aparicio, José-Emilio, Sciortino, Giuseppe, Herrmannsdoerfer, Daniel Viladrich, Chueca, Pablo Orenes, Pedregal, Jaime Rodríguez-Guerra, Maréchal, Jean-Didier
Publicado 2019

Investigating Potential Inhibitory Effect of Uncaria tomentosa (Cat's Claw) against the Main Protease 3CL(pro) of SARS-CoV-2 by Molecular Modeling

por Yepes-Pérez, Andres F., Herrera-Calderon, Oscar, Sánchez-Aparicio, José-Emilio, Tiessler-Sala, Laura, Maréchal, Jean-Didier, Cardona-G, Wilson
Publicado 2020

Hybrid Cyclobutane/Proline-Containing Peptidomimetics: The Conformational Constraint Influences Their Cell-Penetration Ability

por Illa, Ona, Ospina, Jimena, Sánchez-Aparicio, José-Emilio, Pulido, Ximena, Abengozar, María Ángeles, Gaztelumendi, Nerea, Carbajo, Daniel, Nogués, Carme, Rivas, Luis, Maréchal, Jean-Didier, Royo, Miriam, Ortuño, Rosa M.
Publicado 2021

Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site

por Streltsov, Victor A., Luang, Sukanya, Peisley, Alys, Varghese, Joseph N., Ketudat Cairns, James R., Fort, Sebastien, Hijnen, Marcel, Tvaroška, Igor, Ardá, Ana, Jiménez-Barbero, Jesús, Alfonso-Prieto, Mercedes, Rovira, Carme, Mendoza, Fernanda, Tiessler-Sala, Laura, Sánchez-Aparicio, José-Emilio, Rodríguez-Guerra, Jaime, Lluch, José M., Maréchal, Jean-Didier, Masgrau, Laura, Hrmova, Maria
Publicado 2019