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Agustí Lledós
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2010 – 2019
- 2019
- [j5]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
- [j4]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) - 2014
- [j3]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)
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)
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