Jean-Didier Maréchal

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2023 J jnl
TALAIA: a 3D visual dictionary for protein structures.
Bioinform.
Mercè Alemany-Chavarria, Jaime Rodríguez-Guerra, Jean-Didier Maréchal
2021 J jnl
BioMetAll: Identifying Metal-Binding Sites in Proteins from Backbone Preorganization.
J. Chem. Inf. Model.
José-Emilio Sánchez-Aparicio, Laura Tiessler-Sala, Lorea Velasco-Carneros, Lorena Roldán-Martín, Giuseppe Sciortino, Jean-Didier Maréchal
2021 J jnl
Modeling Kinetics and Thermodynamics of Guest Encapsulation into the [M4L6]12- Supramolecular Organometallic Cage.
J. Chem. Inf. Model.
Gantulga Norjmaa, Pietro Vidossich, Jean-Didier Maréchal, Gregori Ujaque
2019 J jnl
GARLEEK: Adding an extra flavor to ONIOM.
J. Comput. Chem.
Jaime Rodríguez-Guerra Pedregal, Ignacio Funes-Ardoiz, Giuseppe Sciortino, José-Emilio Sánchez-Aparicio, Gregori Ujaque, Agustí Lledós, Jean-Didier Maréchal, Feliu Maseras
2018 J jnl
ESIgen: Electronic Supporting Information Generator for Computational Chemistry Publications.
J. Chem. Inf. Model.
Jaime Rodríguez-Guerra Pedregal, Pablo Gómez-Orellana, Jean-Didier Maréchal
2018 J jnl
Prediction of the interaction of metallic moieties with proteins: An update for protein-ligand docking techniques.
J. Comput. Chem.
Giuseppe Sciortino, Jaime Rodríguez-Guerra Pedregal, Agustí Lledós, Eugenio Garribba, Jean-Didier Maréchal
2018 J jnl
PyChimera: use UCSF Chimera modules in any Python 2.7 project.
Bioinform.
Jaime Rodríguez-Guerra Pedregal, Jean-Didier Maréchal
2017 J jnl
GaudiMM: A modular multi-objective platform for molecular modeling.
J. Comput. Chem.
Jaime Rodríguez-Guerra Pedregal, Giuseppe Sciortino, Jordi Guasp, Martí Municoy, Jean-Didier Maréchal
2014 J jnl
Assessing protein-ligand docking for the binding of organometallic compounds to proteins.
J. Comput. Chem.
Elisabeth Ortega-Carrasco, Agustí Lledós, Jean-Didier Maréchal
2006 J jnl
A DFT study on the relative affinity for oxygen of the and subunits of hemoglobin.
J. Comput. Chem.
Jean-Didier Maréchal, Feliu Maseras, Agustí Lledós, Liliane Mouawad, David Pérahia
2000 J jnl
Theoretical modeling of the heme group with a hybrid QM/MM method.
J. Comput. Chem.
Jean-Didier Maréchal, Guada Barea, Feliu Maseras, Agustí Lledós, Liliane Mouawad, David Pérahia