Jean-Didier Maréchal

According to our database, Jean-Didier Maréchal authored at least 12 papers between 2000 and 2023.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2023

TALAIA: a 3D visual dictionary for protein structures.

Mercè Alemany-Chavarria, Jaime Rodríguez-Guerra, Jean-Didier Maréchal

Bioinform., August, 2023

2021

BioMetAll: Identifying Metal-Binding Sites in Proteins from Backbone Preorganization.

José-Emilio Sánchez-Aparicio, Laura Tiessler-Sala, Lorea Velasco-Carneros, Lorena Roldán-Martín, Giuseppe Sciortino, Jean-Didier Maréchal

J. Chem. Inf. Model., 2021

Modeling Kinetics and Thermodynamics of Guest Encapsulation into the [M4L6]12- Supramolecular Organometallic Cage.

Gantulga Norjmaa, Pietro Vidossich, Jean-Didier Maréchal, Gregori Ujaque

J. Chem. Inf. Model., 2021

2019

GARLEEK: Adding an extra flavor to ONIOM.

Jaime Rodríguez-Guerra Pedregal, Ignacio Funes-Ardoiz, Giuseppe Sciortino, José-Emilio Sánchez-Aparicio, Gregori Ujaque, Agustí Lledós, Jean-Didier Maréchal, Feliu Maseras

J. Comput. Chem., 2019

2018

ESIgen: Electronic Supporting Information Generator for Computational Chemistry Publications.

Jaime Rodríguez-Guerra Pedregal, Pablo Gómez-Orellana, Jean-Didier Maréchal

J. Chem. Inf. Model., 2018

Prediction of the interaction of metallic moieties with proteins: An update for protein-ligand docking techniques.

Giuseppe Sciortino, Jaime Rodríguez-Guerra Pedregal, Agustí Lledós, Eugenio Garribba, Jean-Didier Maréchal

J. Comput. Chem., 2018

PyChimera: use UCSF Chimera modules in any Python 2.7 project.

Jaime Rodríguez-Guerra Pedregal, Jean-Didier Maréchal

Bioinform., 2018

2017

GaudiMM: A modular multi-objective platform for molecular modeling.

Jaime Rodríguez-Guerra Pedregal, Giuseppe Sciortino, Jordi Guasp, Martí Municoy, Jean-Didier Maréchal

J. Comput. Chem., 2017

2014

Assessing protein-ligand docking for the binding of organometallic compounds to proteins.

Elisabeth Ortega-Carrasco, Agustí Lledós, Jean-Didier Maréchal

J. Comput. Chem., 2014

2010

<i>In Silico</i> Analysis of the Apolipoprotein E and the Amyloid <i>β</i> Peptide Interaction: Misfolding Induced by Frustration of the Salt Bridge Network.

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

PLoS Comput. Biol., 2010

2006

A DFT study on the relative affinity for oxygen of the and subunits of hemoglobin.

Jean-Didier Maréchal, Feliu Maseras, Agustí Lledós, Liliane Mouawad, David Pérahia

J. Comput. Chem., 2006

2000

Theoretical modeling of the heme group with a hybrid QM/MM method.

Jean-Didier Maréchal, Guada Barea, Feliu Maseras, Agustí Lledós, Liliane Mouawad, David Pérahia

J. Comput. Chem., 2000