Unravelling novel synergies between organometallic and biological partners: a quantum mechanics/molecular mechanics study of an artificial metalloenzyme

Por Ortega-Carrasco, Elisabeth, Lledós, Agustí, Maréchal, Jean-Didier
Publicado em 2014

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

Por Sciortino, Giuseppe, Garribba, Eugenio, Rodríguez-Guerra Pedregal, Jaime, Maréchal, Jean-Didier
Publicado no ACS Omega (2019)

In Silico Analysis of the Apolipoprotein E and the Amyloid β Peptide Interaction: Misfolding Induced by Frustration of the Salt Bridge Network

Por Luo, Jinghui, Maréchal, Jean-Didier, Wärmländer, Sebastian, Gräslund, Astrid, Perálvarez-Marín, Alex
Publicado em 2010

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

Por Alonso-Cotchico, Lur, Rodríguez-Guerra Pedregal, Jaime, Lledós, Agustí, Maréchal, Jean-Didier
Publicado no Front Chem (2019)

Design of an enantioselective artificial metallo-hydratase enzyme containing an unnatural metal-binding amino acid

Por Drienovská, Ivana, Alonso-Cotchico, Lur, Vidossich, Pietro, Lledós, Agustí, Maréchal, Jean-Didier, Roelfes, Gerard
Publicado no Chem Sci (2017)

Biospeciation of Potential Vanadium Drugs of Acetylacetonate in the Presence of Proteins

Por Sciortino, Giuseppe, Ugone, Valeria, Sanna, Daniele, Lubinu, Giuseppe, Ruggiu, Simone, Maréchal, Jean-Didier, Garribba, Eugenio
Publicado no Front Chem (2020)

Crystal Structure of Two Anti-Porphyrin Antibodies with Peroxidase Activity

Por Muñoz Robles, Victor, Maréchal, Jean-Didier, Bahloul, Amel, Sari, Marie-Agnès, Mahy, Jean-Pierre, Golinelli-Pimpaneau, Béatrice
Publicado em 2012

Directed Self-Assembly of Trimeric DNA-Bindingchiral Miniprotein Helicates

Por Gómez-González, Jacobo, Peña, Diego G., Barka, Ghofrane, Sciortino, Giuseppe, Maréchal, Jean-Didier, Vázquez López, Miguel, Vázquez, M. Eugenio
Publicado no Front Chem (2018)

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 no Int J Mol Sci (2019)

Elucidating the 3D structures of Al(iii)–Aβ complexes: a template free strategy based on the pre-organization hypothesis

Por Mujika, Jon I., Rodríguez-Guerra Pedregal, Jaime, Lopez, Xabier, Ugalde, Jesus M., Rodríguez-Santiago, Luis, Sodupe, Mariona, Maréchal, Jean-Didier
Publicado no Chem Sci (2017)

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 no Evid Based Complement Alternat Med (2020)

Cofactor Binding Dynamics Influence the Catalytic Activity and Selectivity of an Artificial Metalloenzyme

Por Villarino, Lara, Chordia, Shreyans, Alonso-Cotchico, Lur, Reddem, Eswar, Zhou, Zhi, Thunnissen, Andy Mark W. H., Maréchal, Jean-Didier, Roelfes, Gerard
Publicado no ACS Catal (2020)

Dynamic Stereoselection of Peptide Helicates and Their Selective Labeling of DNA Replication Foci in Cells

Por Gómez-González, Jacobo, Pérez, Yolanda, Sciortino, Giuseppe, Roldan-Martín, Lorena, Martínez-Costas, José, Maréchal, Jean-Didier, Alfonso, Ignacio, López, Miguel Vázquez, Vázquez, M. Eugenio
Publicado no Angew Chem Int Ed Engl (2021)

Crystal structure of c5321: a protective antigen present in uropathogenic Escherichia coli strains displaying an SLR fold

Por Urosev, Dunja, Ferrer-Navarro, Mario, Pastorello, Ilaria, Cartocci, Elena, Costenaro, Lionel, Zhulenkovs, Dmitrijs, Maréchal, Jean-Didier, Leonchiks, Ainars, Reverter, David, Serino, Laura, Soriani, Marco, Daura, Xavier
Publicado em 2013

An Artificial Heme Enzyme for Cyclopropanation Reactions

Por Villarino, Lara, Splan, Kathryn E., Reddem, Eswar, Alonso‐Cotchico, Lur, Gutiérrez de Souza, Cora, Lledós, Agustí, Maréchal, Jean‐Didier, Thunnissen, Andy‐Mark W. H., Roelfes, Gerard
Publicado no Angew Chem Int Ed Engl (2018)

Phe120 contributes to the regiospecificity of cytochrome P450 2D6: mutation leads to the formation of a novel dextromethorphan metabolite.

Por Flanagan, Jack U, Maréchal, Jean-Didier, Ward, Richard, Kemp, Carol A, McLaughlin, Lesley A, Sutcliffe, Michael J, Roberts, Gordon C K, Paine, Mark J I, Wolf, C Roland
Publicado em 2004

Chiral Cyclobutane-Containing Cell-Penetrating Peptides as Selective Vectors for Anti-Leishmania Drug Delivery Systems

Por Illa, Ona, Olivares, José-Antonio, Gaztelumendi, Nerea, Martínez-Castro, Laura, Ospina, Jimena, Abengozar, María-Ángeles, Sciortino, Giuseppe, Maréchal, Jean-Didier, Nogués, Carme, Royo, Míriam, Rivas, Luis, Ortuño, Rosa M.
Publicado no Int J Mol Sci (2020)

Defective AMH signaling disrupts GnRH neuron development and function and contributes to hypogonadotropic hypogonadism

Por Malone, Samuel Andrew, Papadakis, Georgios E, Messina, Andrea, Mimouni, Nour El Houda, Trova, Sara, Imbernon, Monica, Allet, Cecile, Cimino, Irene, Acierno, James, Cassatella, Daniele, Xu, Cheng, Quinton, Richard, Szinnai, Gabor, Pigny, Pascal, Alonso-Cotchico, Lur, Masgrau, Laura, Maréchal, Jean-Didier, Prevot, Vincent, Pitteloud, Nelly, Giacobini, Paolo
Publicado no eLife (2019)

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 no Nat Commun (2019)