Aurélien de la Lande

According to our database, Aurélien de la Lande authored at least 6 papers between 2010 and 2024.

Collaborative distances:

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

2024

A multi-GPU implementation of Real-Time Time-Dependent Auxiliary Density Functional Theory for the investigation of nanosystems irradiations.

Pablo Antonio Martínez, Theresa Vock, Liliane Racha Kharchi, Jesús N. Pedroza-Montero, Xiaojing Wu, Karim Hasnaoui, Aurélien de la Lande

Comput. Phys. Commun., 2024

2022

On the Recognition of Natural Substrate CTP and Endogenous Inhibitor ddhCTP of SARS-CoV-2 RNA-Dependent RNA Polymerase: A Molecular Dynamics Study.

Angela Parise, Giada Ciardullo, Mario Prejanò, Aurélien de la Lande, Tiziana Marino

J. Chem. Inf. Model., 2022

Following the density evolution using real time density functional theory and density based indexes: Application to model push-pull molecules.

Feven Alemu Korsaye, Aurélien de la Lande, Ilaria Ciofini

J. Comput. Chem., 2022

2017

Theoretical estimation of redox potential of biological quinone cofactors.

Natacha Gillet, Bernard Lévy, Vicent Moliner, Isabelle Demachy, Aurélien de la Lande

J. Comput. Chem., 2017

2011

Spin-driven activation of dioxygen in various metalloenzymes and their inspired models.

Aurélien de la Lande, Dennis R. Salahub, Jacques Maddaluno, Anthony Scemama, Julien Pilmé, Olivier Parisel, Helene Gerard, Michel Caffarel, Jean-Philip Piquemal

J. Comput. Chem., 2011

2010

The QM-MM interface for CHARMM-deMon.

Bogdan Lev, Rui Zhang, Aurélien de la Lande, Dennis R. Salahub, Sergei Yu Noskov

J. Comput. Chem., 2010