Jean-Didier Maréchal

Publication Activity (10 Years)

Years Active: 2000-2023
Publications (10 Years): 8

Top Topics

Computational Methods

Protein Structural

Physicochemical Properties

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Mercè Alemany-Chavarria, Jaime Rodríguez-Guerra, Jean-Didier Maréchal
TALAIA: a 3D visual dictionary for protein structures. Bioinform. 39 (8) (2023)
Gantulga Norjmaa, Pietro Vidossich, Jean-Didier Maréchal, Gregori Ujaque
Modeling Kinetics and Thermodynamics of Guest Encapsulation into the [M4L6]12- Supramolecular Organometallic Cage. J. Chem. Inf. Model. 61 (9) (2021)
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. J. Chem. Inf. Model. 61 (1) (2021)
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. J. Comput. Chem. 40 (2) (2019)
Jaime Rodríguez-Guerra Pedregal, Jean-Didier Maréchal
PyChimera: use UCSF Chimera modules in any Python 2.7 project. Bioinform. 34 (10) (2018)
Giuseppe Sciortino, Jaime Rodríguez-Guerra Pedregal, Agustí Lledós, Eugenio Garribba, Jean-Didier Maréchal
Prediction of the interaction of metallic moieties with proteins: An update for protein-ligand docking techniques. J. Comput. Chem. 39 (1) (2018)
Jaime Rodríguez-Guerra Pedregal, Pablo Gómez-Orellana, Jean-Didier Maréchal
ESIgen: Electronic Supporting Information Generator for Computational Chemistry Publications. J. Chem. Inf. Model. 58 (3) (2018)
Jaime Rodríguez-Guerra Pedregal, Giuseppe Sciortino, Jordi Guasp, Martí Municoy, Jean-Didier Maréchal
GaudiMM: A modular multi-objective platform for molecular modeling. J. Comput. Chem. 38 (24) (2017)
Elisabeth Ortega-Carrasco, Agustí Lledós, Jean-Didier Maréchal
Assessing protein-ligand docking for the binding of organometallic compounds to proteins. J. Comput. Chem. 35 (3) (2014)
Jinghui Luo, Jean-Didier Maréchal, Sebastian Wärmländer, Astrid Gräslund, Alex Perálvarez-Marín
Peptide Interaction: Misfolding Induced by Frustration of the Salt Bridge Network. PLoS Comput. Biol. 6 (2) (2010)
Jean-Didier Maréchal, Feliu Maseras, Agustí Lledós, Liliane Mouawad, David Pérahia
A DFT study on the relative affinity for oxygen of the and subunits of hemoglobin. J. Comput. Chem. 27 (12) (2006)
Jean-Didier Maréchal, Guada Barea, Feliu Maseras, Agustí Lledós, Liliane Mouawad, David Pérahia
Theoretical modeling of the heme group with a hybrid QM/MM method. J. Comput. Chem. 21 (4) (2000)