Jérôme Hénin

Centre National de la Recherche Scientifique — France

Biochemistry, Genetics and Molecular Biology · Life Sciences

31h-index8.4kcitations123works3.12yr avg
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Research Topics

Protein Structure and Dynamics(41), Lipid Membrane Structure and Behavior(23), Spectroscopy and Quantum Chemical Studies(22), Receptor Mechanisms and Signaling(13), Nicotinic Acetylcholine Receptors Study(13)

Publications123 total

BPS2026 – Allosteric coupling between a lipid bilayer and a membrane protein
Biophysical Journal·2026
Molecular signatures of pressure-induced phase transitions in a lipid bilayer
ArXiv.org·2026Open Access
Molecular signatures of pressure-induced phase transitions in a lipid bilayer
arXiv (Cornell University)·2026Open Access
Fast, systematic and robust relative binding free energies for simple and complex transformations : dual-LAO
ArXiv.org·2025Open Access
Fast, systematic and robust relative binding free energies for simple and complex transformations : dual-LAO
arXiv (Cornell University)·2025Open Access
Absolute Binding Affinity of a Phospholipid for a Membrane Protein
2025
Absolute Binding Affinity of a Phospholipid for a Membrane Protein
2025
Characterization of an Open-Channel Structure and Lateral Conduction Pathway in the Cation-Selective Pentameric Ligand-Gated Ion Channel, ELIC
2025Open Access
Absolute Binding Affinity of a Phospholipid for a Membrane Protein: Alchemical Free Energy Calculations at Atomistic Resolution
2025
Targeting RNA with small molecules using state-of-the-art methods provides highly predictive affinities of riboswitch inhibitors
Communications Biology·2025· 2 citedOpen Access
Calculating Free-Energy Differences Using an Average Force: A Tutorial for Adaptive Biasing Force Simulations
The Journal of Physical Chemistry B·2025
k-Nearest Neighbor Adaptive Sampling, a Simple Tool to Efficiently Explore Conformational Space
Journal of Chemical Theory and Computation·2025Open Access
Allosteric coupling between a lipid bilayer and a membrane protein
Biophysical Journal·2025· 1 citedOpen Access
Lambda-ABF-OPES: Faster Convergence with High Accuracy in Alchemical Free Energy Calculations
The Journal of Physical Chemistry Letters·2025· 4 citedOpen Access
BPS2025 - Molecular simulation reveals ion conduction through a conserved lateral pathway in cationic pentameric ligand-gated ion channels
Biophysical Journal·2025
BPS2025 - Allosteric modulation of ELIC by POPG and POPE, and distinguishing overlapping phospholipid binding modes using SAFEP
Biophysical Journal·2025
Atomic scale description of the allosteric coupling between a lipid bilayer and a membrane protein
2025
UnityMol-Lite: Cross-platform Collaboration and Interactive Methods for Molecular Modeling in XR
SPIRE - Sciences Po Institutional REpository·2024Open Access
Expanded Functionality and Portability for the Colvars Library
The Journal of Physical Chemistry B·2024· 32 citedOpen Access
Targeting RNA with Small Molecules using State-of-the-Art Methods Provides Highly Predictive Affinities of Riboswitch Inhibitors
2024· 2 citedOpen Access
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Frequent Co-authors

Christophe Chipot(13), Grace Brannigan(11), Michael L. Klein(9), Giacomo Fiorin(5), Roderic G. Eckenhoff(5), Tony Lelièvre(4), Andrew Pohorille(3), Michael R. Shirts(3), Lucie Delemotte(3), Antoine Taly(3), Sruthi Murlidaran(3), Ezry Santiago-McRae(3), Mina Ebrahimi(3), Benoı̂t Roux(2), Klaus Schulten(2), Emad Tajkhorshid(2), Ómar Valsson(2), Zoe Cournia(2), Mounir Tarek(2), David N. LeBard(2)