Publications

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Grutter T., de Carvalho L.P, Dufresne V., Taly A, Edelstein S.J, Changeux J-P.  2005.  Molecular tuning of fast gating in pentameric ligand-gated ion channels. Proc. Natl. Acad. Sci. U.s.a.. 102:18207–18212.
Grznarova K, Torrent J, Munoz-Montesino C, Nasica J, Derreumaux P, Beringue V, Deslys J-P, Rezaei H.  2016.  Non-equivalent binding sites for Abeta1-40 on PrP determine the oligomerisation pathway. Prion. 10:S40.
Guerin ME, Stirnemann G, Giganti D.  2018.  Conformational entropy of a single peptide controlled under force governs protease recognition and catalysis. Proc Natl Acad Sci U S A. 115:11525-11530.
Guerlet G., Taly A, L. de Carvalho P, Martz A., Jiang R., Specht A., Le Novere N., Grutter T..  2008.  Comparative models of P2X2 receptor support inter-subunit ATP-binding sites. Biochem. Biophys. Res. Commun.. 375:405–409.
Guerlet G, Taly A, De Carvalho LPrado, Martz A, Jiang R, Specht A, Le Novere N, Grutter T.  2008.  Comparative models of P2X2 receptor support inter-subunit ATP-binding sites. Biochem. Biophys. Res. Commun.. 375:405–409.
Gueroult M., Picot D., Abi-Ghanem J., Hartmann B., Baaden M.  2010.  How cations can assist DNase I in DNA binding and hydrolysis. Plos Comput. Biol.. 6:e1001000.
Guharoy M, Janin J\�el, Robert CH.  2010.  Side-chain rotamer transitions at protein-protein interfaces. Proteins: Struct., Funct., Bioinf.. 78:3219–25.
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Hajjar E, Perahia D, Débat H, Nespoulous C, Robert CH.  2006.  Odorant Binding and Conformational Dynamics in the Odorant-binding Protein. J. Biol. Chem.. 281:29929–29937.
Hallen D., Wadso I., Wasserman D.J, Robert C.H, Gill S.J.  1988.  Enthalpy of dimerization of benzene in water. J. Phys. Chem.. 92:3623–3625.
Heddi B., Abi-Ghanem J., Lavigne M., Hartmann B..  2010.  Sequence-dependent DNA flexibility mediates DNase I cleavage. J. Mol. Biol.. 395:123–133.
Heddi B., Oguey C., Lavelle C., Foloppe N., Hartmann B..  2010.  Intrinsic flexibility of B-DNA: the experimental TRX scale. Nucleic Acids Res.. 38:1034–1047.
Heddi B, Foloppe N, Oguey C, Hartmann B.  2008.  Importance of accurate DNA structures in solution: the Jun-Fos model.. J. Mol. Biol.. 382:956–70.
Hegger R, Altis A, Nguyen PHoang, Stock G.  2007.  How complex is the dynamics of peptide folding? Phys. Rev. Lett.. 98
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, 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.
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.
Hénin J, Salari R, Murlidaran S, Brannigan G.  2014.  A predicted binding site for cholesterol on the GABAA receptor.. Biophys. J.. 106:1938–1949.
Hénin J, Shinoda W, Klein ML.  2008.  United-Atom Acyl Chains for CHARMM Phospholipids. J. Phys. Chem. B.. 112:7008–7015.
Hénin J, Baaden M, Taly A.  2014.  Foundations of Biomolecular Simulations: A Critical Introduction to Homology Modeling, Molecular Dynamics Simulations, and Free Energy Calculations of Membrane Proteins. Membrane Proteins Production for Structural Analysis. :347–392.
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.
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.
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.
Hénin J, Chipot C.  2004.  Overcoming free energy barriers using unconstrained molecular dynamics simulations. J. Chem. Phys.. 121:2904–2914.
Hénin J, Maigret B., Tarek M, Escrieut C., Fourmy D., Chipot C.  2006.  Probing a model of a GPCR/ligand complex in an explicit membrane environment: The human cholecystokinin-1 receptor. Biophys. J.. 90:1232–1240.
Hénin J, Shinoda W, Klein ML.  2009.  Models for phosphatidylglycerol lipids put to a structural test. J. Phys. Chem. B. 113:6958–6963.

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