Jean-Didier Maréchal (J Didier-Marechal, Jean-Didie Maréchal)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 47

Top Topics

Molecular Dynamics Simulations

Structural Basis

Top Venues

Inorganic chemistry

Chemistry (Weinheim an der Bergstrasse, Germany)

International journal of molecular sciences

Nature communications

This page only lists publications with an associated author ORCID identifier.

Publications

Lorea Velasco-Carneros, Jorge Cuéllar, Leire Dublang, César Santiago, Jean-Didier Maréchal, Jaime Martín-Benito, Moisés Maestro, José Ángel Fernández-Higuero, Natalia Orozco, Fernando Moro, José María Valpuesta, Arturo Muga
Author Correction: The self-association equilibrium of DNAJA2 regulates its interaction with unfolded substrate proteins and with Hsc70. Nature communications 15 (1) (2024)
Laura Tiessler-Sala, Jean-Didier Maréchal, Agustí Lledos
Rationalization of a Streptavidin Based Enantioselective Artificial Suzukiase: An Integrative Computational Approach. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Lorena Roldán-Martín, Mariona Sodupe, Jean-Didier Maréchal
Computational Study of Amyloidβ 42 Familial Mutations and Metal Interaction: Impact on Monomers and Aggregates Dynamical Behaviors. Inorganic chemistry 63 (10) (2024)
Lorena Roldán-Martín, L Rodríguez-Santiago, Jean-Didier Maréchal, Mariona Sodupe
Exploring the Esterase Catalytic Activity of Minimalist Heptapeptide Amyloid Fibers. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Laura Tiessler-Sala, Jean-Didier Maréchal, Agustí Lledos
Rationalization of a Streptavidin Based Enantioselective Artificial Suzukiase: An Integrative Computational Approach. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (39) (2024)
Lorena Roldán-Martín, Mariona Sodupe, Jean-Didier Maréchal
Computational Study of Amyloidβ 42 Familial Mutations and Metal Interaction: Impact on Monomers and Aggregates Dynamical Behaviors. Inorganic chemistry 63 (10) (2024)
Laura Tiessler-Sala, Jean-Didier Maréchal, Agustí Lledos
Rationalization of a Streptavidin Based Enantioselective Artificial Suzukiase: An Integrative Computational Approach. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (39) (2024)
Soraya Learte-Aymamí, Laura Martínez-Castro, Carmen González-González, Miriam Condeminas, Pau Martin-Malpartida, María Tomás-Gamasa, Sandra Baúlde, José R Couceiro, Jean-Didier Maréchal, Maria J Macias, José Luis Mascareñas, M Eugenio Vázquez
De Novo Engineering of Pd-Metalloproteins and Their Use as Intracellular Catalysts. JACS Au 4 (7) (2024)
Lorena Roldán-Martín, Mariona Sodupe, Jean-Didier Maréchal
Computational Study of Amyloidβ 42 Familial Mutations and Metal Interaction: Impact on Monomers and Aggregates Dynamical Behaviors. Inorganic chemistry 63 (10) (2024)
Soraya Learte-Aymamí, Laura Martínez-Castro, Carmen González-González, Miriam Condeminas, Pau Martin-Malpartida, María Tomás-Gamasa, Sandra Baúlde, José R Couceiro, Jean-Didier Maréchal, Maria J Macias, José Luis Mascareñas, M Eugenio Vázquez
De Novo Engineering of Pd-Metalloproteins and Their Use as Intracellular Catalysts. JACS Au 4 (7) (2024)
Lorena Roldán-Martín, Mariona Sodupe, Jean-Didier Maréchal
Computational Study of Amyloidβ 42 Familial Mutations and Metal Interaction: Impact on Monomers and Aggregates Dynamical Behaviors. Inorganic chemistry (2024)
Lorea Velasco-Carneros, Jorge Cuéllar, Leire Dublang, César Santiago, Jean-Didier Maréchal, Jaime Martín-Benito, Moisés Maestro, José Ángel Fernández-Higuero, Natalia Orozco, Fernando Moro, José María Valpuesta, Arturo Muga
Author Correction: The self-association equilibrium of DNAJA2 regulates its interaction with unfolded substrate proteins and with Hsc70. Nature communications 15 (1) (2024)
Lorena Roldán-Martín, Mariona Sodupe, Jean-Didier Maréchal
Computational Study of Amyloidβ 42 Familial Mutations and Metal Interaction: Impact on Monomers and Aggregates Dynamical Behaviors. Inorganic chemistry 63 (10) (2024)
Lorea Velasco-Carneros, Jorge Cuéllar, Leire Dublang, César Santiago, Jean-Didier Maréchal, Jaime Martín-Benito, Moisés Maestro, José Ángel Fernández-Higuero, Natalia Orozco, Fernando Moro, José María Valpuesta, Arturo Muga
The self-association equilibrium of DNAJA2 regulates its interaction with unfolded substrate proteins and with Hsc70. Nature communications 14 (1) (2023)
Agnieszka Krzemińska, José-Emilio Sánchez-Aparicio, Jean-Didier Maréchal, Agata Paneth, Piotr Paneth
Influence of Association on Binding of Disaccharides to YKL-39 and hHyal-1 Enzymes. International journal of molecular sciences 23 (14) (2022)
Guillermo A Oliveira Udry, Laura Tiessler-Sala, Eva Pugliese, Agathe Urvoas, Zakaria Halime, Jean-Didier Maréchal, Jean-Pierre Mahy, Rémy Ricoux
Photocatalytic Hydrogen Production and Carbon Dioxide Reduction Catalyzed by an Artificial Cobalt Hemoprotein. International journal of molecular sciences 23 (23) (2022)
José-Emilio Sánchez-Aparicio, Giuseppe Sciortino, Eric Mates-Torres, Agustí Lledos, Jean-Didier Maréchal
Successes and challenges in multiscale modelling of artificial metalloenzymes: the case study of POP-Rh 2 cyclopropanase. Faraday discussions 234 (0) (2022)
Guillermo A Oliveira Udry, Laura Tiessler-Sala, Eva Pugliese, Agathe Urvoas, Zakaria Halime, Jean-Didier Maréchal, Jean-Pierre Mahy, Rémy Ricoux
Photocatalytic Hydrogen Production and Carbon Dioxide Reduction Catalyzed by an Artificial Cobalt Hemoprotein. International journal of molecular sciences 23 (23) (2022)
Jacobo Gómez-González, Laura Martínez-Castro, Juan Tolosa, Ana Alcalde-Ordóñez, Soraya Learte-Aymamí, José Luis Mascareñas, Joaquín C García Martínez, Jacobo Gómez, Jean-Didier Maréchal, Miguel Vázquez López, M Eugenio Vázquez
Selective recognition of A/T-rich DNA 3-way junctions with a three-fold symmetric tripeptide. Chemical communications (Cambridge, England) 58 (56) (2022)
Guillermo A Oliveira Udry, Laura Tiessler-Sala, Eva Pugliese, Agathe Urvoas, Zakaria Halime, Jean-Didier Maréchal, Jean-Pierre Mahy, Rémy Ricoux
Photocatalytic Hydrogen Production and Carbon Dioxide Reduction Catalyzed by an Artificial Cobalt Hemoprotein. International journal of molecular sciences 23 (23) (2022)
Guillermo A Oliveira Udry, Laura Tiessler-Sala, Eva Pugliese, Agathe Urvoas, Zakaria Halime, Jean-Didier Maréchal, Jean-Pierre Mahy, Rémy Ricoux
Photocatalytic Hydrogen Production and Carbon Dioxide Reduction Catalyzed by an Artificial Cobalt Hemoprotein. International journal of molecular sciences 23 (23) (2022)
Sukanya Luang, Xavier Fernández-Luengo, Alba Nin-Hill, Victor A Streltsov, Julian G Schwerdt, Santiago Alonso-Gil, James R Ketudat Cairns, Stéphanie Pradeau, Sebastien Fort, Jean-Didier Maréchal, Laura Masgrau, Carme Rovira, Maria Hrmova
The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nature communications 13 (1) (2022)
Laura Tiessler-Sala, Giuseppe Sciortino, Lur Alonso-Cotchico, Laura Masgrau, Agustí Lledos, Jean-Didier Maréchal
Getting Deeper into the Molecular Events of Heme Binding Mechanisms: A Comparative Multi-level Computational Study of HasAsm and HasAyp Hemophores. Inorganic chemistry 61 (43) (2022)
Gantulga Norjmaa, Pietro Vidossich, Jean-Didier Maréchal, Gregori Ujaque
Modeling Kinetics and Thermodynamics of Guest Encapsulation into the [M4L6]12- Supramolecular Organometallic Cage. Journal of chemical information and modeling 61 (9) (2021)
Jacobo Gómez-González, Yolanda Pérez, Giuseppe Sciortino, Lorena Roldan-Martín, Jacobo Gómez, Jean-Didier Maréchal, Ignacio Alfonso, Miguel Vázquez López, M Eugenio Vázquez
Dynamic Stereoselection of Peptide Helicates and Their Selective Labeling of DNA Replication Foci in Cells*. Angewandte Chemie (International ed. in English) 60 (16) (2021)
Lorena Roldán-Martín, Francesca Peccati, Giuseppe Sciortino, Mariona Sodupe, Jean-Didier Maréchal
Impact of Cu(II) and Al(III) on the conformational landscape of amyloidβ1-42. Physical chemistry chemical physics : PCCP 23 (23) (2021)
Gantulga Norjmaa, Jean-Didier Maréchal, Gregori Ujaque
Origin of the Rate Acceleration in the C-C Reductive Elimination from Pt(IV)-complex in a [Ga4 L6 ]12- Supramolecular Metallocage. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (64) (2021)
Leire Dublang, Jarl Underhaug, Marte I Flydal, Lorea Velasco-Carneros, Jean-Didier Maréchal, Fernando Moro, Maria Dolores Boyano, Aurora Martinez, Arturo Muga
Inhibition of the Human Hsc70 System by Small Ligands as a Potential Anticancer Approach. Cancers 13 (12) (2021)
Quim Peña, Giuseppe Sciortino, Jean-Didier Maréchal, Sylvain Bertaina, Ariane Jalila Simaan, Julia Lorenzo, Mercè Capdevila, Pau Bayón, Olga Iranzo, Oscar Palacios
Copper(II) N,N,O-Chelating Complexes as Potential Anticancer Agents. Inorganic chemistry 60 (5) (2021)
Ona Illa, Jimena Ospina, José-Emilio Sánchez-Aparicio, Ximena Pulido, María Ángeles Abengozar, Nerea Gaztelumendi, Daniel Carbajo, Carme Nogués, Luis Rivas, Jean-Didier Maréchal, Miriam Royo, Rosa M Ortuño
Hybrid Cyclobutane/Proline-Containing Peptidomimetics: The Conformational Constraint Influences Their Cell-Penetration Ability. International journal of molecular sciences 22 (10) (2021)
Jacobo Gómez-González, David Bouzada, Lidia A Pérez-Márquez, Giuseppe Sciortino, Jean-Didier Maréchal, Miguel Vázquez López, M Eugenio Vázquez
Stereoselective Self-Assembly of DNA Binding Helicates Directed by the Viral β-Annulus Trimeric Peptide Motif. Bioconjugate chemistry 32 (8) (2021)
Lur Alonso-Cotchico, Jaime Rodríguez-Guerra Pedregal, Agustí Lledos, Jean-Didier Maréchal
Molecular Modeling for Artificial Metalloenzyme Design and Optimization. Accounts of chemical research 53 (4) (2020)
Kalani Kariyawasam, Thibault Di Meo, Fabien Hammerer, Marie Valerio-Lepiniec, Giuseppe Sciortino, Jean-Didier Maréchal, Philippe Minard, Jean-Pierre Mahy, Agathe Urvoas, Rémy Ricoux
An Artificial Hemoprotein with Inducible Peroxidase- and Monooxygenase-Like Activities. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (65) (2020)
Ona Illa, José-Antonio Olivares, Nerea Gaztelumendi, Laura Martínez-Castro, Jimena Ospina, María-Ángeles Abengozar, Giuseppe Sciortino, Jean-Didier Maréchal, Carme Nogués, Míriam Royo, Luis Rivas, Rosa M Ortuño
Chiral Cyclobutane-Containing Cell-Penetrating Peptides as Selective Vectors for Anti-Leishmania Drug Delivery Systems. International journal of molecular sciences 21 (20) (2020)
Amit Kumar, Sarnali Sanfui, Giuseppe Sciortino, Jean-Didier Maréchal, Eugenio Garribba, Sankar Prasad Rath
Stepwise Oxidations in a Cofacial Copper(II) Porphyrin Dimer: Through-Space Spin-Coupling and Interplay between Metal and Radical Spins. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (35) (2020)
José-Emilio Sánchez-Aparicio, Laura Tiessler-Sala, Lorea Velasco-Carneros, Lorena Roldán-Martín, Giuseppe Sciortino, Jean-Didier Maréchal
BioMetAll: Identifying Metal-Binding Sites in Proteins from Backbone Preorganization. Journal of chemical information and modeling 61 (1) (2020)
Andres F Yepes-Pérez, Oscar Herrera-Calderon, José-Emilio Sánchez-Aparicio, Laura Tiessler-Sala, Jean-Didier Maréchal, Wilson Cardona-G
Investigating Potential Inhibitory Effect of Uncaria tomentosa (Cat's Claw) against the Main Protease 3CLpro of SARS-CoV-2 by Molecular Modeling. Evidence-based complementary and alternative medicine : eCAM 2020 (2020)
Giuseppe Sciortino, Daniele Sanna, Giuseppe Lubinu, Jean-Didier Maréchal, Eugenio Garribba
Unveiling VIV O2+ Binding Modes to Human Serum Albumins by an Integrated Spectroscopic-Computational Approach. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (49) (2020)
Gantulga Norjmaa, Jean-Didier Maréchal, Gregori Ujaque
Microsolvation and Encapsulation Effects on Supramolecular Catalysis: C-C Reductive Elimination inside [Ga4L6]12- Metallocage. Journal of the American Chemical Society 141 (33) (2019)
José-Emilio Sánchez-Aparicio, Giuseppe Sciortino, Daniel Viladrich Herrmannsdoerfer, Pablo Orenes Chueca, Jaime Rodríguez-Guerra Pedregal, Jean-Didier Maréchal
GPathFinder: Identification of Ligand-Binding Pathways by a Multi-Objective Genetic Algorithm. International journal of molecular sciences 20 (13) (2019)
Valeria Ugone, Daniele Sanna, Giuseppe Sciortino, Jean-Didier Maréchal, Eugenio Garribba
Interaction of Vanadium(IV) Species with Ubiquitin: A Combined Instrumental and Computational Approach. Inorganic chemistry 58 (12) (2019)
Lara Villarino, Kathryn E Splan, Eswar Reddem, Lur Alonso-Cotchico, Cora Gutiérrez de Souza, Agustí Lledos, Jean-Didier Maréchal, Andy-Mark W H Thunnissen, Gerard Roelfes
An Artificial Heme Enzyme for Cyclopropanation Reactions. Angewandte Chemie (International ed. in English) 57 (26) (2018)
Giuseppe Sciortino, Daniele Sanna, Valeria Ugone, Agustí Lledos, Jean-Didier Maréchal, Eugenio Garribba
Decoding Surface Interaction of VIVO Metallodrug Candidates with Lysozyme. Inorganic chemistry 57 (8) (2018)
Jaime Rodríguez-Guerra Pedregal, Ignacio Funes-Ardoiz, Giuseppe Sciortino, José-Emilio Sánchez-Aparicio, Gregori Ujaque, Agustí Lledós, Jean-Didier Maréchal, Feliu Maseras
GARLEEK: Adding an extra flavor to ONIOM. Journal of computational chemistry 40 (2) (2018)
Ivana Drienovská, Lur Alonso-Cotchico, Pietro Vidossich, Agustí Lledos, Jean-Didier Maréchal, Gerard Roelfes
Design of an enantioselective artificial metallo-hydratase enzyme containing an unnatural metal-binding amino acid. Chemical science 8 (10) (2017)
Jaime Rodríguez-Guerra Pedregal, Giuseppe Sciortino, Jordi Guasp, Martí Municoy, Jean-Didier Maréchal
GaudiMM: A modular multi-objective platform for molecular modeling. Journal of computational chemistry 38 (24) (2017)
Giuseppe Sciortino, Jaime Rodríguez-Guerra Pedregal, Agustí Lledos, Eugenio Garribba, Jean-Didier Maréchal
Prediction of the interaction of metallic moieties with proteins: An update for protein-ligand docking techniques. Journal of computational chemistry 39 (1) (2017)