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List of works by Jérôme Hénin

A membrane-inserted structural model of the yeast mitofusin Fzo1. ⬇️

scientific article published on 31 August 2017

A predicted binding site for cholesterol on the GABAA receptor

scientific article (publication date: 6 May 2014)

A streamlined, general approach for computing ligand binding free energies and its application to GPCR-bound cholesterol

scientific article published on 13 November 2018

Allosteric regulation of pentameric ligand-gated ion channels: an emerging mechanistic perspective

scientific article

An atomistic model for simulations of the general anesthetic isoflurane

scientific article published in January 2010

Binding of divalent cations to acetate: molecular simulations guided by Raman spectroscopy

scientific article published on 20 October 2020

CHARMM36 united atom chain model for lipids and surfactants.

scientific article published on 6 January 2014

Computing absolute binding affinities by Streamlined Alchemical Free Energy Perturbation [Article v1.0]

scientific article published in January 2023

Diffusion of glycerol through Escherichia coli aquaglyceroporin GlpF.

scientific article

Embedded cholesterol in the nicotinic acetylcholine receptor

scientific article

Evolution of Pentameric Ligand-Gated Ion Channels: Pro-Loop Receptors

scientific article

Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables

scientific article published on 3 December 2009

Exploring the free-energy landscape of a short peptide using an average force

scientific article published in December 2005

Fast and Accurate Multidimensional Free Energy Integration

scientific article published on 20 October 2021

General anesthetics predicted to block the GLIC pore with micromolar affinity

scientific article

Human Learning for Molecular Simulations: The Collective Variables Dashboard in VMD

scientific article published on 10 February 2022

Insights into the recognition and association of transmembrane alpha-helices. The free energy of alpha-helix dimerization in glycophorin A.

scientific article

Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory.

scientific article

Models for phosphatidylglycerol lipids put to a structural test

scientific article published on May 2009

Multiple binding sites for the general anesthetic isoflurane identified in the nicotinic acetylcholine receptor transmembrane domain

scientific article

New Coarse Variables for the Accurate Determination of Standard Binding Free Energies

scientific article

Overcoming free energy barriers using unconstrained molecular dynamics simulations

scientific article

Probing a model of a GPCR/ligand complex in an explicit membrane environment: the human cholecystokinin-1 receptor.

scientific article

Role of Internal Water on Protein Thermal Stability: The Case of Homologous G Domains

scientific article published on 15 October 2014

Scalable molecular dynamics on CPU and GPU architectures with NAMD ⬇️

scientific article published on 01 July 2020

Single-spanning transmembrane domains in cell growth and cell-cell interactions: More than meets the eye?

scientific article published on 20 April 2010

Smoothed Biasing Forces Yield Unbiased Free Energies with the Extended-System Adaptive Biasing Force Method.

scientific article

Symmetry-Adapted Restraints for Binding Free Energy Calculations

scientific article published on 01 March 2022

The adaptive biasing force method: everything you always wanted to know but were afraid to ask

scientific article

Type VI secretion and bacteriophage tail tubes share a common assembly pathway

scientific article

United-Atom Acyl Chains for CHARMM Phospholipids

scientific article published on 16 May 2008

Unwrapping NPT Simulations to Calculate Diffusion Coefficients

scientific article published on 31 May 2023

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