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

著者: Ortega-Carrasco, Elisabeth, Lledós, Agustí, Maréchal, Jean-Didier
出版事項 2014

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

著者: Sciortino, Giuseppe, Garribba, Eugenio, Rodríguez-Guerra Pedregal, Jaime, Maréchal, Jean-Didier
出版年 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

著者: Luo, Jinghui, Maréchal, Jean-Didier, Wärmländer, Sebastian, Gräslund, Astrid, Perálvarez-Marín, Alex
出版事項 2010

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

著者: Alonso-Cotchico, Lur, Rodríguez-Guerra Pedregal, Jaime, Lledós, Agustí, Maréchal, Jean-Didier
出版年 Front Chem (2019)

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

著者: Drienovská, Ivana, Alonso-Cotchico, Lur, Vidossich, Pietro, Lledós, Agustí, Maréchal, Jean-Didier, Roelfes, Gerard
出版年 Chem Sci (2017)

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

著者: Sciortino, Giuseppe, Ugone, Valeria, Sanna, Daniele, Lubinu, Giuseppe, Ruggiu, Simone, Maréchal, Jean-Didier, Garribba, Eugenio
出版年 Front Chem (2020)

Crystal Structure of Two Anti-Porphyrin Antibodies with Peroxidase Activity

著者: Muñoz Robles, Victor, Maréchal, Jean-Didier, Bahloul, Amel, Sari, Marie-Agnès, Mahy, Jean-Pierre, Golinelli-Pimpaneau, Béatrice
出版事項 2012

Directed Self-Assembly of Trimeric DNA-Bindingchiral Miniprotein Helicates

著者: Gómez-González, Jacobo, Peña, Diego G., Barka, Ghofrane, Sciortino, Giuseppe, Maréchal, Jean-Didier, Vázquez López, Miguel, Vázquez, M. Eugenio
出版年 Front Chem (2018)

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

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

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

著者: Mujika, Jon I., Rodríguez-Guerra Pedregal, Jaime, Lopez, Xabier, Ugalde, Jesus M., Rodríguez-Santiago, Luis, Sodupe, Mariona, Maréchal, Jean-Didier
出版年 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

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

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

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

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

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

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

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

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

著者: 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
出版事項 2013

An Artificial Heme Enzyme for Cyclopropanation Reactions

著者: 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
出版年 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.

著者: 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
出版事項 2004

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

著者: 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.
出版年 Int J Mol Sci (2020)

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

著者: 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.
出版年 Int J Mol Sci (2021)

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

著者: 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
出版年 eLife (2019)