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Molecular simulations answers to chemical and biophysical questions
How do proteins react and function under external stresses such as increased pressure or mechanical forces? What are the inner molecular secrets of RNA enzymes? How to solve the chicken-and-egg problem of the emergence of life and of the synthesis of the first biomolecules in the absence of the modern biological machinery? How to efficiently model chemical reactions in the computer with quantitative agreement with experimental data, but at moderate computational cost?
These are some of the questions we try to address in our group at the Chemistry Department of the École Normale Supérieure, in Paris. We are working at the interface between physics, chemistry and biology using theoretical, simulation and artificial intelligence tools, often in strong interaction with experiments.
What will you find here?
What will you find here?
News
News
Oct. 2025 We welcome four new PhDs in the group: Pierre Vieillard, Mathilde Kretz, Camilla Caprai and Marwa Ghraizi. Happy to see so many new faces and looking for some exciting science ahead!
Oct. 2025 Guillaume was promoted to a Research Director position, in the Data Sciences interdisciplinary panel of CNRS.
Feb. 2025 Congratulations to Sélène for (yet another) brillant PhD defense. She's moving to Copenhagen for a postdoc with K. Lindorff-Larsen and Gemma Salomon!
Dec. 2024 Congratulations to Zakarya for a brillant PhD defense. He will leave the group to start as a postdoctoral researcher in the group of G. Hummer, in Mainz (Germany).
Aug. 2024 Rolf is leaving the group and will start at University of Grenoble as an assistant professor on a CNRS junior chair track, we wish him all the best!
Feb. 2024 We welcome in the group Claire Pritchard for a Master's internship about GPCR activation upon agonist binding, in collaboration with Laurent Catoire (IBPC) and Charlie Gosse (ENS) performing single-molecule spectroscopy measurements.
Dec. 2023 We congratulate Marie Juillé, who did her PhD in co-supervision with Damien Laage (ENS) and Élise Duboué-Dijon (IBPC), about the implementation of alchemical transformations to study prebiotic reactivity. All the best for her future research endeavors!
Oct. 2023 Congatulations to Aimeric Dabin who successfully defended his PhD about the mechanism of RNA duplex denaturation! All the best for his future post-doc plans yet to be determined.
Sep. 2023 Big move for the group as we are relocating the lab in the Chemistry Department of École Normale Supérieure. Very excited and looking forward to continuing our activities there! Olaia Anton and Yanna Gautier are joining the group for their PhD.
Sep. 2022 Rolf David is joining the group as a post-doc. He will work on machine learning approaches to chemical reactivity, with strong interest in prebiotic chemistry.
Jul. 2022 Marina Katava is leaving the group after 3 years of post-doc, two of which under a prestigious Marie Curie Fellowship. All the best for her future career!
Mar. 2022 We welcome Dr. Mario Araujo-Rocha, who will work on thermophoresis as a postdoc in the group.
Feb. 2022 Third and last for the season, Olivier Languin-Cattoën successfully defended his work on the molecular mechanism of the bacterial adhesin FimH. He will now work as a post-doc in the group of Giovanni Bussi at SISSA, in Trieste.
Jan. 2022 Matthias Saint-André defended his PhD on the formation of the phosphoester bond in abiotic conditions.
Dec. 2021 Congratulations to Alejandro Diaz-Marquez for defending his PhD, "Molecular basis of thermophoresis". All the best for his future post-doc in Montpellier!
Sep. 2021 Our article on water dynamics in ionic aqueous solutions, published in 2019, is part of the Highly Cited selection of the Journal of Physical Chemistry B, in the liquids section! https://access.acspubs.org/liquidssoftmatter
Sep. 2021 Sélène Forget is joining the group for her PhD, working on a minimal autoreplicative ribozyme systems using multiscale approaches. She has a strong interest for topics related to the origins of life, and brings ample experience in molecular dynamics simulations of biomolecular systems after several internships at Princeton (with Pablo Debenedetti), the Earth-Life Institute (Tokyo) and Aqemia (Paris). All the best for her stay with us!
Jul. 2021 Aubin Ramon (M.Sc. student) is leaving the group to become a PhD candidate at the University of Cambridge, UK. We wish him all the best after a very successful and terrific experience in the group!
Jan. 2021 Welcome to Aubin Ramon, a M.Sc. student from ENS, who joined the group for a 6-month intership. He will work on the interpretation of single-molecule force spectroscopy experiments, as well as on a catch-bond protein system involved in the mechanotransduction pathway.
Jan. 2021 Welcome to Marie Juillé, who will do her PhD in the group, in collaboration with Élise Duboué-Dijon (LBT) and Damien Laage (ENS). She will work on a minimal autoreplicative ribozyme systems using multiscale approaches.
Sep. 2020 Irene Maffucci's just published papers have received wide acclaim, with the first one selected as a Very Important Paper in Chemistry - A European Journal, and the other one being selected by PCCP's editors as one of the 2020's HOT papers!
Sep. 2020 Welcome to Zakarya, who will do a long M.Sc. internship in the group, working on Machine-Learling approaches to chemical reactivity.
Sep. 2020 Congratulations and a second welcome to Aimeric, who has defended his M.Sc. thesis and will now start his PhD in the group, working on the melting of RNA duplexes.
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