Publications

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Journal Article
Hirst J.D, Glowacki D.R, Baaden M.  2014.  Molecular simulations and visualization: introduction and overview. Faraday Discuss.. 169:9–22.
Moraga-Cid G., Sauguet L., Huon C., Malherbe L., Girard-Blanc C., Petres S., Murail S., Taly A, Baaden M, Delarue M. et al..  2015.  Allosteric and hyperekplexic mutant phenotypes investigated on an α1 glycine receptor transmembrane structure. Proc. Natl. Acad. Sci. U.s.a.. 112:2865–2870.
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.
Gelly JC, Gracy J, Kaas Q, Le-Nguyen D, Heitz A, Chiche L.  2004.  The KNOTTIN website and database: a new information system dedicated to the knottin scaffold. Nucleic Acids Res.. 32:D156-D159.
Gracy J, Le-Nguyen D, Gelly J-C, Kaas Q, Heitz A, Chiche L.  2008.  KNOTTIN: the knottin or inhibitor cystine knot scaffold in 2007. Nucleic Acids Res.. 36:D314-D319.
Mattei C, Taly A, Soualah Z, Saulais O, Henrion D, Guérineau NC, Verleye M, Legros C.  2019.  Involvement of the GABAA receptor α subunit in the mode of action of etifoxine. Pharmacological research. 145:104250.
Poulain P, Saladin A, Hartmann B, Prévost C.  2008.  Insights on protein-DNA recognition by coarse grain modelling. J. Comput. Chem.. 29:2582–92.
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.
Nissen LJ, Gelly JC, Hipskind RA.  2001.  Induction-independent recruitment of CREB-binding protein to the c-fos serum response element through interactions between the bromodomain and Elk-1. J. Biol. Chem.. 276:5213–5221.
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.
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.
Huet A, Derreumaux P.  2006.  Impact of the mutation A21G (Flemish variant) on Alzheimer’s beta-amyloid dimers by molecular dynamics simulations. Biophys. J.. 91:3829–3840.
Hung HMinh, Nguyen MTho, Tran P-T, Truong VKhanh, Chapman J, Anh LHuu Quynh, Derreumaux P, Vu VV, Ngo STung.  2020.  Impact of the Astaxanthin, Betanin, and EGCG Compounds on Small Oligomers of Amyloid Aβ Peptide.. J Chem Inf Model. 60(3):1399-1408.
Férey N, Gros P.-E., Hérisson J., Gherbi R..  2005.  Immersive graph-based visualization and exploration of biological data relationships. Data Sci. J.. 4:189–194.
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., Oguey C., Lavelle C., Foloppe N., Hartmann B..  2010.  Intrinsic flexibility of B-DNA: the experimental TRX scale. Nucleic Acids Res.. 38:1034–1047.
Molza A.E, Férey N, Czjzek M, Le Rumeur E, Hubert J.F, Tek A, Laurent B, Baaden M, Delalande O..  2014.  Innovative interactive flexible docking method for multi-scale reconstruction elucidates dystrophin molecular assembly. Faraday Discuss.. 169:45–62.
Hénin J, Chipot C.  2006.  Hydrogen-bonding patterns of cholesterol in lipid membranes. Chem. Phys. Lett.. 425:329–335.
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.
Spichty M, Taly A, Hagn F, Kessler H, Barluenga S, Winssinger N, Karplus M.  2009.  The HSP90 binding mode of a radicicol-like E-oxime determined by docking, binding free energy estimations, and NMR 15 N chemical shifts. Biophys. Chem.. 143:111–123.
Mondal J, Halverson D, Li ITS, Stirnemann G, Walker GC, Berne BJ.  2015.  How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory.. Proc. Natl. Acad. Sci. Usa. 112:9270–5.
Hegger R, Altis A, Nguyen PHoang, Stock G.  2007.  How complex is the dynamics of peptide folding? Phys. Rev. Lett.. 98
Elbahnsi A, Retureau R, Baaden M, Hartmann B, Oguey C.  2018.  Holding the Nucleosome Together: A Quantitative Description of the DNA-Histone Interface in Solution.. J Chem Theory Comput. 14(2):1045-1058.
Barboiu M, Kumar M, Baaden M, Gale PA, Hinds BJ.  2019.  Highlights from the Faraday Discussion on Artificial Water Channels, Glasgow, UK.. Chem Commun (Camb). 55(27):3853-3858.
Ziolkowska K, Derreumaux P, Folichon M, Pellegrini O, Regnier P, , Hajnsdorf E.  2006.  Hfq variant with altered RNA binding functions. Nucleic Acids Res.. 34:709–720.

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