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2020 – today
- 2023
[j12]Mercè Alemany-Chavarria, Jaime Rodríguez-Guerra
, Jean-Didier Maréchal:
TALAIA: a 3D visual dictionary for protein structures. Bioinform. 39(8) (2023)- 2021
- [j11]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): 311-323 (2021) - [j10]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): 4370-4381 (2021)
2010 – 2019
- 2019
- [j9]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): 381-386 (2019) - 2018
- [j8]Jaime Rodríguez-Guerra Pedregal, Jean-Didier Maréchal:
PyChimera: use UCSF Chimera modules in any Python 2.7 project. Bioinform. 34(10): 1784-1785 (2018) - [j7]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): 42-51 (2018) - [j6]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): 561-564 (2018) - 2017
- [j5]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): 2118-2126 (2017) - 2014
- [j4]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): 192-198 (2014) - 2010
- [j3]Jinghui Luo, Jean-Didier Maréchal, Sebastian Wärmländer, Astrid Gräslund, Alex Perálvarez-Marín:
In Silico Analysis of the Apolipoprotein E and the Amyloid β Peptide Interaction: Misfolding Induced by Frustration of the Salt Bridge Network. PLoS Comput. Biol. 6(2) (2010)
2000 – 2009
- 2006
- [j2]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): 1446-1453 (2006) - 2000
- [j1]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): 282-294 (2000)
Coauthor Index
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