Jérôme Hénin

发表

Structural mechanism of leaflet-specific phospholipid modulation of a pentameric ligand-gated ion channel

J. Fitzpatrick, Z. Deng, Grace Brannigan, 2022, bioRxiv.

Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation

J. Fitzpatrick, Z. Deng, Grace Brannigan, 2022, Nature Communications.

Consistent Picture of Phosphate-Divalent Cation Binding from Models with Implicit and Explicit Electronic Polarization.

E. Duboué-Dijon, C. Clavaguéra, Jérôme Hénin, 2022, Journal of Physical Chemistry B.

A consistent picture of phosphate–divalent cation binding from models with implicit and explicit electronic polarization

E. Duboué-Dijon, C. Clavaguéra, Jérôme Hénin, 2022 .

Fast and Accurate Multidimensional Free Energy Integration.

Jérôme Hénin, 2021, Journal of chemical theory and computation.

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

G. Fiorin, Jérôme Hénin, Laura J. S. Lopes, 2021, Journal of chemical theory and computation.

Symmetry-Adapted Restraints for Binding Free Energy Calculations.

Mina Ebrahimi, Jérôme Hénin, 2022, Journal of chemical theory and computation.

Designing losses for data-free training of normalizing flows on Boltzmann distributions

G. Charpiat, Jérôme Hénin, Loris Felardos, 2023, arXiv.org.

Alchemical Free Energy Calculations on Membrane-Associated Proteins

H. V. van Vlijmen, P. Matricon, G. Tresadern, 2023, Journal of chemical theory and computation.

Computing Absolute Binding Affinities by Streamlined Alchemical Free Energy Perturbation (SAFEP)

Grace Brannigan, Mina Ebrahimi, Ezry Santiago-McRae, 2023, bioRxiv.