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

gan Ortega-Carrasco, Elisabeth, Lledós, Agustí, Maréchal, Jean-Didier
Cyhoeddwyd 2014

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

gan Sciortino, Giuseppe, Garribba, Eugenio, Rodríguez-Guerra Pedregal, Jaime, Maréchal, Jean-Didier
Cyhoeddwyd yn 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

gan Luo, Jinghui, Maréchal, Jean-Didier, Wärmländer, Sebastian, Gräslund, Astrid, Perálvarez-Marín, Alex
Cyhoeddwyd 2010

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

gan Alonso-Cotchico, Lur, Rodríguez-Guerra Pedregal, Jaime, Lledós, Agustí, Maréchal, Jean-Didier
Cyhoeddwyd yn Front Chem (2019)

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

gan Drienovská, Ivana, Alonso-Cotchico, Lur, Vidossich, Pietro, Lledós, Agustí, Maréchal, Jean-Didier, Roelfes, Gerard
Cyhoeddwyd yn Chem Sci (2017)

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

gan Sciortino, Giuseppe, Ugone, Valeria, Sanna, Daniele, Lubinu, Giuseppe, Ruggiu, Simone, Maréchal, Jean-Didier, Garribba, Eugenio
Cyhoeddwyd yn Front Chem (2020)

Crystal Structure of Two Anti-Porphyrin Antibodies with Peroxidase Activity

gan Muñoz Robles, Victor, Maréchal, Jean-Didier, Bahloul, Amel, Sari, Marie-Agnès, Mahy, Jean-Pierre, Golinelli-Pimpaneau, Béatrice
Cyhoeddwyd 2012

Directed Self-Assembly of Trimeric DNA-Bindingchiral Miniprotein Helicates

gan Gómez-González, Jacobo, Peña, Diego G., Barka, Ghofrane, Sciortino, Giuseppe, Maréchal, Jean-Didier, Vázquez López, Miguel, Vázquez, M. Eugenio
Cyhoeddwyd yn Front Chem (2018)

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

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

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

gan Mujika, Jon I., Rodríguez-Guerra Pedregal, Jaime, Lopez, Xabier, Ugalde, Jesus M., Rodríguez-Santiago, Luis, Sodupe, Mariona, Maréchal, Jean-Didier
Cyhoeddwyd yn 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

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

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

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

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

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

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

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

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

gan 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
Cyhoeddwyd 2013

An Artificial Heme Enzyme for Cyclopropanation Reactions

gan 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
Cyhoeddwyd yn 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.

gan 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
Cyhoeddwyd 2004

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

gan 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.
Cyhoeddwyd yn Int J Mol Sci (2020)

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

gan 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.
Cyhoeddwyd yn Int J Mol Sci (2021)

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

gan 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
Cyhoeddwyd yn eLife (2019)