Alain Dequidt

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 4

Top Topics

Molecular Dynamics

Labeling Scheme

Top Venues

J. Chem. Inf. Model.

J. Comput. Phys.

J. Comput. Chem.

Publications

Gian-Michele Cherchi, Alain Dequidt, Arnaud Guillin, Nicolas Martzel, Patrice Hauret, Vincent Barra
ML-GLE: A machine learning enhanced Generalized Langevin equation framework for transient anomalous diffusion in polymer dynamics. J. Comput. Phys. 514 (2024)
Mehdi Sahihi, Pierre Fayon, Lionel Nauton, Florent Goujon, Julien Devémy, Alain Dequidt, Patrice Hauret, Patrice Malfreyt
Probing Enzymatic PET Degradation: Molecular Dynamics Analysis of Cutinase Adsorption and Stability. J. Chem. Inf. Model. 64 (10) (2024)
Volker Lesch, Diddo Diddens, Carlos E. S. Bernardes, Benjamin Golub, Alain Dequidt, Veronika Zeindlhofer, Marcello Sega, Christian Schröder
ForConX: A forcefield conversion tool based on XML. J. Comput. Chem. 38 (9) (2017)
Alain Dequidt, Julien Devémy, Agílio A. H. Pádua
Thermalized Drude Oscillators with the LAMMPS Molecular Dynamics Simulator. J. Chem. Inf. Model. 56 (1) (2016)