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Author Title [ Type(Desc)] Year
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Journal Article
Comer J, Gumbart JC, Hénin J, Lelièvre T, Pohorille A, Chipot C.  2015.  The adaptive biasing force method: everything you always wanted to know but were afraid to ask.. J. Phys. Chem. B. 119:1129–51.
Taly A, Hénin J, Changeux J-P, Cecchini M.  2014.  Allosteric regulation of pentameric ligand-gated ion channels: An emerging mechanistic perspective. Channels. 8:350–360.
Hénin J, Brannigan G, Dailey WP, Eckenhoff RG, Klein ML.  2010.  An atomistic model for simulations of the general anesthetic isoflurane. J. Phys. Chem. B. 114:604–612.
de Oliveira DMendes, Zukowski SR, Palivec V, Hénin J, Martinez-Seara H, Ben-Amotz D, Jungwirth P, Duboué-Dijon E.  2020.  Binding of divalent cations to acetate: molecular simulations guided by Raman spectroscopy. Phys. Chem. Chem. Phys.. 22:24014-24027.
Duboué-Dijon E, Hénin J.  2021.  Building intuition for binding free energy calculations: Bound state definition, restraints, and symmetry. The Journal of Chemical Physics. 154:204101.
Lee S, Tran A, Allsopp M, Lim JB, Hénin J, Klauda JB.  2014.  CHARMM36 united atom chain model for lipids and surfactants.. J. Phys. Chem. B. 118:547–556.
Hénin J, Schulten K., Chipot C.  2006.  Conformational equilibrium in alanine-rich peptides probed by reversible stretching simulations. J. Phys. Chem. B. 110:16718–16723.
Puyo-Fourtine J, Juillé M, Hénin J, Clavaguéra C, Duboué-Dijon E.  2022.  Consistent Picture of Phosphate–Divalent Cation Binding from Models with Implicit and Explicit Electronic Polarization. J. Phys. Chem. B. 126(22):4022-4034.
Hénin J, Tajkhorshid E, Schulten K, Chipot C.  2008.  Diffusion of glycerol through Escherichia coli aquaglyceroporin GlpF. Biophys. J.. 94:832–839.
Brannigan G, Hénin J, Law R, Eckenhoff RG, Klein ML.  2008.  Embedded cholesterol in the nicotinic acetylcholine receptor. Proc. Natl. Acad. Sci. U.s.a.. 105:14418–14423.
Hénin J, Lelièvre T, Shirts MR, Valsson O, Delemotte L.  2022.  Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0]. Living Journal of Computational Molecular Science. 4:1583.
Jaiteh M, Taly A, Hénin J.  2016.  Evolution of Pentameric Ligand-Gated Ion Channels: Pro-Loop Receptors.. Plos One. 11:e0151934.
Hénin J, Fiorin G, Chipot C, Klein ML.  2010.  Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables. J. Chem. Theory Comput.. 6:35–47.
Chipot C, Hénin J.  2005.  Exploring the free energy landscape of a short peptide using an average force. J. Chem. Phys.. 123:244906.
Hénin J.  2021.  Fast and Accurate Multidimensional Free Energy Integration.. J Chem Theory Comput. 17(11):6789-6798.
LeBard DN, Hénin J, Eckenhoff RG, Klein ML, Brannigan G.  2012.  General Anesthetics Predicted to Block the GLIC Pore with Micromolar Affinity. Plos Comput. Biol.. 8:e1002532.
Hénin J, Lopes LJS, Fiorin G.  2022.  Human Learning for Molecular Simulations: The Collective Variables Dashboard in VMD.. J Chem Theory Comput. 18(3):1945-1956.
Hénin J, Chipot C.  2006.  Hydrogen-bonding patterns of cholesterol in lipid membranes. Chem. Phys. Lett.. 425:329–335.
Hénin J, Pohorille A., Chipot C.  2005.  Insights into the recognition and association of transmembrane $\alpha$-helices. The free energy of $\alpha$-helix dimerization in glycophorin A. J. Am. Chem. Soc.. 127:8478–8484.
Beaugrand M\"ıwenn, Arnold AA, Hénin J, Warschawski DE, Williamson PTF, Marcotte I.  2014.  Lipid concentration and molar ratio boundaries for the use of isotropic bicelles.. Langmuir. 30:6162–6170.
Wu X, Hénin J, Baciou L, Baaden M, Cailliez F, de la Lande A.  2021.  Mechanistic Insights on Heme-to-Heme Transmembrane Electron Transfer Within NADPH Oxydases From Atomistic Simulations.. Front Chem. 9:650651.
Cournia Z, Allen TW, Andricioaei I, Antonny B, Baum D, Brannigan G, Buchete N-V, Deckman JT, Delemotte L, Del Val C et al..  2015.  Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory.. J. Membr. Biol.. 248
De Vecchis D, Cavellini L, Baaden M, Hénin J, Cohen MM, Taly A.  2017.  A membrane-inserted structural model of the yeast mitofusin Fzo1. Sci Rep. 7(1):10217.
Hénin J, Shinoda W, Klein ML.  2009.  Models for phosphatidylglycerol lipids put to a structural test. J. Phys. Chem. B. 113:6958–6963.