Publications

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2012
Thevenet P, Shen Y, Maupetit J, Guyon F, Derreumaux P, Tuffery P.  2012.  PEP-FOLD: an updated de novo structure prediction server for both linear and disulfide bonded cyclic peptides. Nucleic Acids Res.. 40:W288-W293.
Thevenet P, Shen Y, Maupetit J, Guyon F, Derreumaux P, Tuffery P.  2012.  PEP-FOLD: an updated de novo structure prediction server for both linear and disulfide bonded cyclic peptides. Nucleic Acids Res.. 40:W288-W293.
Berges R., Balzeau J., Takahashi M., Prévost C, Eyer J..  2012.  Structure-function analysis of the NFL-TBS.40-63 peptide corresponding to the binding site of tubulin on the light neurofilament subunit. Plos One. 7:e49436.
Jiang R., Taly A, Lemoine D., Martz A., Cunrath O., Grutter T..  2012.  Tightening of the ATP-binding sites induces the opening of P2X receptor channels. Embo J.. 31:2134–2143.
Russo P., Taly A.  2012.  α7-Nicotinic acetylcholine receptors: an old actor for new different roles. Curr. Drug Targets. 13:574–578.
2013
Chaumont S, André C, Perrais D, Boué-Grabot E, Taly A, Garret M.  2013.  Agonist-dependent endocytosis of $\gamma$-aminobutyric acid type A (GABAA) receptors revealed by a $\gamma$2 (R43Q) epilepsy mutation. J. Biol. Chem.. 288:28254–28265.
Zhu S, Stroebel D, C Yao A, Taly A, Paoletti P.  2013.  Allosteric signaling and dynamics of the clamshell-like NMDA receptor GluN1 N-terminal domain. Nature Structural \& Molecular Biology. 20:477–485.
Parton D.L, Tek A., Baaden M, Sansom M.S.  2013.  Formation of raft-like assemblies within clusters of influenza hemagglutinin observed by MD simulations. Plos Comput. Biol.. 9:e1003034.
Lv Z., Tek A., Da Silva F., Empereur-mot C., Chavent M, Baaden M.  2013.  Game on, science - how video game technology may help biologists tackle visualization challenges. Plos One. 8:e57990.
Calimet N., Simoes M., Changeux J.P, Karplus M., Taly A, Cecchini M..  2013.  A gating mechanism of pentameric ligand-gated ion channels. Proc. Natl. Acad. Sci. U.s.a.. 110:E3987–3996.
Dreher M., Piuzzi M., Turki A., Chavent M, Baaden M, Férey N, Limet S., Raffin B., Robert S..  2013.  Interactive Molecular Dynamics: Scaling up to Large Systems.. Procedia Comput. Sci.. 18:20–29.
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.
Jiang R, Taly A, Grutter T.  2013.  Moving through the gate in ATP-activated P2X receptors. Trends Biochem. Sci.. 38:20–29.
Trellet M., Férey N, Baaden M, Bourdot P..  2013.  Navigation guidée par le contenu pour l'exploration moléculaire.. Actes de l'AFRV.
Taly A.  2013.  Novel approaches to drug design for the treatment of schizophrenia. Expert Opin. Drug Discovery. 8:1285–1296.
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.
Sauguet L., Poitevin F., Murail S., Van Renterghem C., Moraga-Cid G., Malherbe L., Thompson A.W, Koehl P., Corringer P.J, Baaden M et al..  2013.  Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels. Embo J.. 32:728–741.
2014
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.
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.
Trellet M., Férey N, Baaden M, Bourdot P..  2014.  Content-guided Navigation in Multimeric Molecular Complexes. {BIOIMAGING} 2014 - Proceedings of the International Conference on Bioimaging, ESEO, Angers, Loire Valley, France, 3-6 March, 2014. :76–81.
Dreher M, Prevoteau-Jonquet J, Trellet M, Piuzzi M, Baaden M, Raffin B, Férey N, Robert S, Limet S..  2014.  ExaViz: a flexible framework to analyse, steer and interact with molecular dynamics simulations. Faraday Discuss.. 169:119–142.
Nguyen PHoang, Tarus B, Derreumaux P.  2014.  Familial Alzheimer A2 V Mutation Reduces the Intrinsic Disorder and Completely Changes the Free Energy Landscape of the A beta 1-28 Monomer. J. Phys. Chem. B. 118:501–510.
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.
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.

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