Jérôme Hénin (J Hénin)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 19

Top Topics

Saccharomyces Cerevisiae

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

Nature communications

The Journal of chemical physics

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Louis Lagardère, Lise Maurin, Olivier Adjoua, Krystel El Hage, Pierre Monmarché, Jean-Philip Piquemal, Jérôme Hénin
Lambda-ABF: Simplified, Portable, Accurate, and Cost-Effective Alchemical Free-Energy Computation. Journal of chemical theory and computation (2024)
Louis Lagardère, Lise Maurin, Olivier Adjoua, Krystel El Hage, Pierre Monmarché, Jean-Philip Piquemal, Jérôme Hénin
Lambda-ABF: Simplified, Portable, Accurate, and Cost-Effective Alchemical Free-Energy Computation. Journal of chemical theory and computation 20 (11) (2024)
Antoine Gagelin, Corentin Largeau, Sandrine Masscheleyn, Mathilde S Piel, Daniel Calderón-Mora, Frédéric Bouillaud, Jérôme Hénin, Bruno Miroux
Molecular determinants of inhibition of UCP1-mediated respiratory uncoupling. Nature communications 14 (1) (2023)
Antoine Gagelin, Corentin Largeau, Sandrine Masscheleyn, Mathilde S Piel, Daniel Calderón-Mora, Frédéric Bouillaud, Jérôme Hénin, Bruno Miroux
Molecular determinants of inhibition of UCP1-mediated respiratory uncoupling. Nature communications 14 (1) (2023)
Antoine Gagelin, Corentin Largeau, Sandrine Masscheleyn, Mathilde S Piel, Daniel Calderón-Mora, Frédéric Bouillaud, Jérôme Hénin, Bruno Miroux
Molecular determinants of inhibition of UCP1-mediated respiratory uncoupling. Nature communications 14 (1) (2023)
Antoine Gagelin, Corentin Largeau, Sandrine Masscheleyn, Mathilde S Piel, Daniel Calderón-Mora, Frédéric Bouillaud, Jérôme Hénin, Bruno Miroux
Molecular determinants of inhibition of UCP1-mediated respiratory uncoupling. Nature communications 14 (1) (2023)
Michail Papadourakis, Gregory D Sinenko, Pierre Matricon, Jérôme Hénin, Grace Brannigan, Laura Pérez-Benito, Vineet Pande, Herman W T van Vlijmen, Chris de Graaf, Francesca Deflorian, Gary John Tresadern, Marco Cecchini, Zoe Cournia
Alchemical Free Energy Calculations on Membrane-Associated Proteins. Journal of chemical theory and computation (2023)
Jakob Tómas Bullerjahn, Sören von Bülow, Maziar Heidari, Jérôme Hénin, Gerhard Hummer
Unwrapping NPT Simulations to Calculate Diffusion Coefficients. Journal of chemical theory and computation (2023)
Julie Puyo-Fourtine, Marie Juillé, Jérôme Hénin, Carine Clavaguéra, Elise Duboué-Dijon
Consistent Picture of Phosphate-Divalent Cation Binding from Models with Implicit and Explicit Electronic Polarization. The journal of physical chemistry. B 126 (22) (2022)
Mina Ebrahimi, Jérôme Hénin
Symmetry-Adapted Restraints for Binding Free Energy Calculations. Journal of chemical theory and computation 18 (4) (2022)
John T Petroff, Noah M Dietzen, Ezry Santiago-McRae, Brett Deng, Maya S Washington, Lawrence J Chen, K Trent Moreland, Zengqin Deng, Michael J Rau, James A J Fitzpatrick, Peng Yuan, Thomas T Joseph, Jérôme Hénin, Grace Brannigan, Wayland W L Cheng
Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation. Nature communications 13 (1) (2022)
Jérôme Hénin, Laura J S Lopes, Giacomo Fiorin
Human Learning for Molecular Simulations: The Collective Variables Dashboard in VMD. Journal of chemical theory and computation 18 (3) (2022)
Jérôme Hénin
Fast and Accurate Multidimensional Free Energy Integration. Journal of chemical theory and computation 17 (11) (2021)
Elise Duboué-Dijon, Jérôme Hénin
Building intuition for binding free energy calculations: Bound state definition, restraints, and symmetry. The Journal of chemical physics 154 (20) (2021)
Denilson Mendes de Oliveira, Samual R Zukowski, Vladimir Palivec, Jérôme Hénin, Hector Martinez-Seara, Dor Ben-Amotz, Pavel Jungwirth, Elise Duboué-Dijon
Binding of divalent cations to acetate: molecular simulations guided by Raman spectroscopy. Physical chemistry chemical physics : PCCP 22 (41) (2020)
James C Phillips, David J Hardy, Julio D C Maia, John E Stone, João V Ribeiro, Rafael C Bernardi, Ronak Buch, Giacomo Fiorin, Jérôme Hénin, Wei Jiang, Ryan McGreevy, Marcelo Cardoso Dos Reis Melo, Brian K Radak, Robert D Skeel, Abhishek Singharoy, Yi Wang, Benoı T Roux, Aleksei Aksimentiev, Zaida Luthey-Schulten, Laxmikant V Kalé, Klaus Schulten, Christophe J Chipot, Emad Tajkhorshid
Scalable molecular dynamics on CPU and GPU architectures with NAMD. The Journal of chemical physics 153 (4) (2020)
Reza Salari, Thomas Joseph, Ruchi Lohia, Jérôme Hénin, Grace Brannigan
A Streamlined, General Approach for Computing Ligand Binding Free Energies and Its Application to GPCR-Bound Cholesterol. Journal of chemical theory and computation 14 (12) (2018)
Haohao Fu, Wensheng Cai, Jérôme Hénin, Benoı T Roux, Christophe J Chipot
New Coarse Variables for the Accurate Determination of Standard Binding Free Energies. Journal of chemical theory and computation 13 (11) (2017)
Dario De Vecchis, Laetitia Cavellini, Marc Baaden, Jérôme Hénin, Mickaël M Cohen, Antoine Taly
A membrane-inserted structural model of the yeast mitofusin Fzo1. Scientific reports 7 (1) (2017)