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

מאת Ortega-Carrasco, Elisabeth, Lledós, Agustí, Maréchal, Jean-Didier
יצא לאור 2014

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

מאת Sciortino, Giuseppe, Garribba, Eugenio, Rodríguez-Guerra Pedregal, Jaime, Maréchal, Jean-Didier
הוצא לאור ב 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

מאת Luo, Jinghui, Maréchal, Jean-Didier, Wärmländer, Sebastian, Gräslund, Astrid, Perálvarez-Marín, Alex
יצא לאור 2010

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

מאת Alonso-Cotchico, Lur, Rodríguez-Guerra Pedregal, Jaime, Lledós, Agustí, Maréchal, Jean-Didier
הוצא לאור ב Front Chem (2019)

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

מאת Drienovská, Ivana, Alonso-Cotchico, Lur, Vidossich, Pietro, Lledós, Agustí, Maréchal, Jean-Didier, Roelfes, Gerard
הוצא לאור ב Chem Sci (2017)

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

מאת Sciortino, Giuseppe, Ugone, Valeria, Sanna, Daniele, Lubinu, Giuseppe, Ruggiu, Simone, Maréchal, Jean-Didier, Garribba, Eugenio
הוצא לאור ב Front Chem (2020)

Crystal Structure of Two Anti-Porphyrin Antibodies with Peroxidase Activity

מאת Muñoz Robles, Victor, Maréchal, Jean-Didier, Bahloul, Amel, Sari, Marie-Agnès, Mahy, Jean-Pierre, Golinelli-Pimpaneau, Béatrice
יצא לאור 2012

Directed Self-Assembly of Trimeric DNA-Bindingchiral Miniprotein Helicates

מאת Gómez-González, Jacobo, Peña, Diego G., Barka, Ghofrane, Sciortino, Giuseppe, Maréchal, Jean-Didier, Vázquez López, Miguel, Vázquez, M. Eugenio
הוצא לאור ב Front Chem (2018)

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

מאת Sánchez-Aparicio, José-Emilio, Sciortino, Giuseppe, Herrmannsdoerfer, Daniel Viladrich, Chueca, Pablo Orenes, Pedregal, Jaime Rodríguez-Guerra, Maréchal, Jean-Didier
הוצא לאור ב Int J Mol Sci (2019)

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

מאת Mujika, Jon I., Rodríguez-Guerra Pedregal, Jaime, Lopez, Xabier, Ugalde, Jesus M., Rodríguez-Santiago, Luis, Sodupe, Mariona, Maréchal, Jean-Didier
הוצא לאור ב 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

מאת Yepes-Pérez, Andres F., Herrera-Calderon, Oscar, Sánchez-Aparicio, José-Emilio, Tiessler-Sala, Laura, Maréchal, Jean-Didier, Cardona-G, Wilson
הוצא לאור ב Evid Based Complement Alternat Med (2020)

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

מאת Villarino, Lara, Chordia, Shreyans, Alonso-Cotchico, Lur, Reddem, Eswar, Zhou, Zhi, Thunnissen, Andy Mark W. H., Maréchal, Jean-Didier, Roelfes, Gerard
הוצא לאור ב ACS Catal (2020)

Inhibition of the Human Hsc70 System by Small Ligands as a Potential Anticancer Approach

מאת Dublang, Leire, Underhaug, Jarl, Flydal, Marte I., Velasco-Carneros, Lorea, Maréchal, Jean-Didier, Moro, Fernando, Boyano, Maria Dolores, Martinez, Aurora, Muga, Arturo
הוצא לאור ב Cancers (Basel) (2021)

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

מאת Gómez-González, Jacobo, Pérez, Yolanda, Sciortino, Giuseppe, Roldan-Martín, Lorena, Martínez-Costas, José, Maréchal, Jean-Didier, Alfonso, Ignacio, López, Miguel Vázquez, Vázquez, M. Eugenio
הוצא לאור ב Angew Chem Int Ed Engl (2021)

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

מאת 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
יצא לאור 2013

An Artificial Heme Enzyme for Cyclopropanation Reactions

מאת 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
הוצא לאור ב 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.

מאת 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
יצא לאור 2004

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

מאת 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.
הוצא לאור ב Int J Mol Sci (2020)

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

מאת 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.
הוצא לאור ב Int J Mol Sci (2021)

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

מאת 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
הוצא לאור ב eLife (2019)