Jérôme Hénin

Affiliations: 
CNRS, Paris, Île-de-France, France 
Area:
molecular simulation, membrane proteins, enhanced sampling, free energy calculation
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"Jérôme Hénin"
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Publications

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Petroff JT, Dietzen NM, Santiago-McRae E, et al. (2022) Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation. Nature Communications. 13: 7017
Puyo-Fourtine J, Juillé M, Hénin J, et al. (2022) Consistent Picture of Phosphate-Divalent Cation Binding from Models with Implicit and Explicit Electronic Polarization. The Journal of Physical Chemistry. B. 126: 4022-4034
Mendes de Oliveira D, Zukowski SR, Palivec V, et al. (2020) Binding of divalent cations to acetate: molecular simulations guided by Raman spectroscopy. Physical Chemistry Chemical Physics : Pccp
Phillips JC, Hardy DJ, Maia JDC, et al. (2020) Scalable molecular dynamics on CPU and GPU architectures with NAMD. The Journal of Chemical Physics. 153: 044130
Salari R, Joseph T, Lohia R, et al. (2018) A streamlined, general approach for computing ligand binding free energies and its application to GPCR-bound cholesterol. Journal of Chemical Theory and Computation
Fu H, Cai W, Hénin J, et al. (2017) New Coarse Variables for the Accurate Determination of Standard Binding Free Energies. Journal of Chemical Theory and Computation
De Vecchis D, Cavellini L, Baaden M, et al. (2017) A membrane-inserted structural model of the yeast mitofusin Fzo1. Scientific Reports. 7: 10217
Woll KA, Murlidaran S, Pinch BJ, et al. (2016) A Novel Bifunctional Alkylphenol Anesthetic Allows Characterization of GABAA Receptor Subunit Binding Selectivity in Synaptosomes. The Journal of Biological Chemistry
Cournia Z, Allen TW, Andricioaei I, et al. (2015) Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory. The Journal of Membrane Biology. 248: 611-40
Comer J, Gumbart JC, Hénin J, et al. (2015) The adaptive biasing force method: everything you always wanted to know but were afraid to ask. The Journal of Physical Chemistry. B. 119: 1129-51
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