Publications

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Journal Article
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.
Jiang R., Taly A, Grutter T..  2013.  Moving through the gate in ATP-activated P2X receptors. Trends Biochem. Sci.. 38:20–29.
Tek A., Baaden M, Férey N, Bourdot P..  2013.  MANHaptic: A Haptic Adaptive Method for Precise Manipulation, Assembly \and Navigation. International Journal on Human Machine Interaction. 1:60–67.
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
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.
Darre L., Tek A., Baaden M, Pantano S..  2012.  Mixing atomistic and coarse grain solvation models for MD simulations: let WT4 handle the bulk. Jctc.
Brandner AF, Timr S, Melchionna S, Derreumaux P, Baaden M, Sterpone F.  2019.  Modelling lipid systems in fluid with Lattice Boltzmann Molecular Dynamics simulations and hydrodynamics. Scientific Reports. 9:16450.
Man VHoang, Truong PMinh, Li MSuan, Wang J, Van-Oanh N-T, Derreumaux P, Nguyen PHoang.  2018.  Molecular mechanism of the cell membrane pore formation induced by bubble stable cavitation. The Journal of Physical Chemistry B. 123:71–78.
Taly A, Nitti F, Baaden M, Pasquali S.  2019.  Molecular modelling as the spark for active learning approaches for interdisciplinary biology teaching. Interface focus. 9:20180065.
De Vecchis D, Brandner A, Baaden M, Cohen MM, Taly A.  2019.  A molecular perspective on mitochondrial membrane fusion: from the key players to oligomerization and tethering of mitofusin. The Journal of membrane biology. 252:293–306.
Tarus B, Nguyen PHoang, Berthoumieu O, Faller P, Doig AJ, Derreumaux P.  2015.  Molecular structure of the NQTrp inhibitor with the Alzheimer A beta 1-28 monomer. Eur. J. Med. Chem.. 91:43–50.
Nguyen PHoang, Li MSuan, Stock G, Straub JE, Thirumalai D..  2007.  Monomer adds to preformed structured oligomers of A beta-peptides by a two-stage dock-lock mechanism. Proc. Natl. Acad. Sci. U.s.a.. 104:111–116.
Jiang R, Taly A, Grutter T.  2013.  Moving through the gate in ATP-activated P2X receptors. Trends Biochem. Sci.. 38:20–29.
Sterpone F, Doutreligne S, Tran TThuy, Melchionna S, Baaden M, Nguyen PHoang, Derreumaux P.  2017.  Multi-scale simulations of biological systems using the OPEP coarse-grained model.. Biochem Biophys Res Commun.
Taly A, Corringer P.J, Guedin D., Lestage P., Changeux J-P.  2009.  Nicotinic receptors: allosteric transitions and therapeutic targets in the nervous system. Nat. Rev. Drug Discov.. 8:733–750.
Taly A, Delarue M., Grutter T., Nilges M., Le Novere N., Corringer P.J, Changeux J-P.  2005.  Normal mode analysis suggests a quaternary twist model for the nicotinic receptor gating mechanism. Biophys. J.. 88:3954–3965.
Changeux J-P, Taly A.  2008.  Nicotinic receptors, allosteric proteins and medicine. Trends Mol. Med.. 14:93–102.
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.
Taly A.  2013.  Novel approaches to drug design for the treatment of schizophrenia. Expert Opin. Drug Discovery. 8:1285–1296.
Taly A.  2007.  Opened by a twist: a gating mechanism for the nicotinic acetylcholine receptor. Eur. Biophys. J.. 36:911–918.
Lemoine D., Habermacher C., Martz A., Mery P.F, Bouquier N., Diverchy F., Taly A, Rassendren F., Specht A., Grutter T..  2013.  Optical control of an ion channel gate. Proc. Natl. Acad. Sci. U.s.a.. 110:20813–20818.
Sterpone F., Melchionna S., Tuffery P, Pasquali S., Mousseau N., Cragnolini T., Chebaro Y, St-Pierre J.-F., Kalimeri M., Barducci A. et al..  2014.  The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems. Chem. Soc. Rev.. 43:4871–4893.
Sterpone F., Melchionna S., Tuffery P, Pasquali S., Mousseau N., Cragnolini T., Chebaro Y, St-Pierre J.-F., Kalimeri M., Barducci A. et al..  2014.  The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems. Chem. Soc. Rev.. 43:4871–4893.
Maupetit J, Derreumaux P, Tuffery P.  2009.  PEP-FOLD: an online resource for de novo peptide structure prediction. Nucleic Acids Res.. 37:W498-W503.

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