Simple Coordination Geometry Descriptors Allow to Accurately Predict Metal-Binding Sites in Proteins

by Giuseppe Sciortino, Eugenio Garribba, Jaime Rodríguez-Guerra Pedregal, Jean-Didier Maréchal
Published 2019-02-01

The Effect of Cofactor Binding on the Conformational Plasticity of the Biological Receptors in Artificial Metalloenzymes: The Case Study of LmrR

by Lur Alonso-Cotchico, Lur Alonso-Cotchico, Jaime Rodríguez-Guerra Pedregal, Agustí Lledós, Jean-Didier Maréchal
Published 2019-04-01

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

by José-Emilio Sánchez-Aparicio, Giuseppe Sciortino, Daniel Viladrich Herrmannsdoerfer, Pablo Orenes Chueca, Jaime Rodríguez-Guerra Pedregal, Jean-Didier Maréchal
Published 2019-06-01

Theoretical Study of Radical Inactivation, LOX Inhibition, and Iron Chelation: The Role of Ferulic Acid in Skin Protection against UVA Induced Oxidative Stress

by Ana Amić, Jasmina M. Dimitrić Marković, Zoran Marković, Dejan Milenković, Žiko Milanović, Marko Antonijević, Denisa Mastiľák Cagardová, Jaime Rodríguez-Guerra Pedregal
Published 2021-08-01

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

by Victor A. Streltsov, Sukanya Luang, Alys Peisley, Joseph N. Varghese, James R. Ketudat Cairns, Sebastien Fort, Marcel Hijnen, Igor Tvaroška, Ana Ardá, Jesús Jiménez-Barbero, Mercedes Alfonso-Prieto, Carme Rovira, Fernanda Mendoza, Laura Tiessler-Sala, José-Emilio Sánchez-Aparicio, Jaime Rodríguez-Guerra, José M. Lluch, Jean-Didier Maréchal, Laura Masgrau, Maria Hrmova
Published 2019-05-01