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Journal Articles
- 2024
[j6]Pablo Antonio Martínez, Theresa Vock, Liliane Racha Kharchi, Jesús N. Pedroza-Montero, Xiaojing Wu, Karim Hasnaoui, Aurélien de la Lande
:
A multi-GPU implementation of Real-Time Time-Dependent Auxiliary Density Functional Theory for the investigation of nanosystems irradiations. Comput. Phys. Commun. 295: 108946 (2024)- 2022
- [j5]Feven Alemu Korsaye, Aurélien de la Lande, Ilaria Ciofini:
Following the density evolution using real time density functional theory and density based indexes: Application to model push-pull molecules. J. Comput. Chem. 43(22): 1464-1473 (2022) - [j4]Angela Parise, Giada Ciardullo, Mario Prejanò, Aurélien de la Lande, Tiziana Marino:
On the Recognition of Natural Substrate CTP and Endogenous Inhibitor ddhCTP of SARS-CoV-2 RNA-Dependent RNA Polymerase: A Molecular Dynamics Study. J. Chem. Inf. Model. 62(20): 4916-4927 (2022) - 2017
- [j3]Natacha Gillet, Bernard Lévy, Vicent Moliner, Isabelle Demachy, Aurélien de la Lande:
Theoretical estimation of redox potential of biological quinone cofactors. J. Comput. Chem. 38(18): 1612-1621 (2017) - 2011
- [j2]Aurélien de la Lande, Dennis R. Salahub, Jacques Maddaluno, Anthony Scemama, Julien Pilmé, Olivier Parisel, Helene Gerard, Michel Caffarel, Jean-Philip Piquemal:
Spin-driven activation of dioxygen in various metalloenzymes and their inspired models. J. Comput. Chem. 32(6): 1178-1182 (2011) - 2010
- [j1]Bogdan Lev, Rui Zhang, Aurélien de la Lande, Dennis R. Salahub, Sergei Yu Noskov:
The QM-MM interface for CHARMM-deMon. J. Comput. Chem. 31(5): 1015-1023 (2010)
Coauthor Index
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