Publications

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Sacquin-Mora S, Carbone A., Lavery R.  2008.  Identification of Protein Interaction Partners and Protein-Protein Interaction Sites. J. Mol. Biol.. 382:1276–1289.
Selmane T, Camadro JM, Conilleau S, Fleury F, Tran V, Prévost C, Takahashi M.  2004.  Identification of the subunit-subunit interface of Xenopus Rad51.1 protein: Similarity to RecA. J. Mol. Biol.. 335:895–904.
Selmane T, Camadro JM, Conilleau S, Fleury F, Tran V, Prévost C, Takahashi M.  2004.  Identification of the subunit-subunit interface of Xenopus Rad51.1 protein: Similarity to RecA. J. Mol. Biol.. 335:895–904.
Nguyen PHoang, Sterpone F, Campanera JM, Nasica-Labouze J, Derreumaux P.  2016.  Impact of the A2V Mutation on the Heterozygous and Homozygous A beta 1-40 Dimer Structures from Atomistic Simulations. Acs Chem. Neurosci.. 7:823–832.
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.
Santini S, Claude JB, Audic S, Derreumaux P.  2003.  Impact of the tail and mutations G131V and M129V on prion protein flexibility. Proteins-structure Function and Genetics. 51:258–265.
Taly A, Corringer P-J, Grutter T, De Carvalho LPrado, Karplus M, Changeux J-P.  2006.  Implications of the quaternary twist allosteric model for the physiology and pathology of nicotinic acetylcholine receptors. Proceedings of the National Academy of Sciences. 103:16965–16970.
Taly A, Corringer P-J, Grutter T, De Carvalho LPrado, Karplus M, Changeux J-P.  2006.  Implications of the quaternary twist allosteric model for the physiology and pathology of nicotinic acetylcholine receptors. Proceedings of the National Academy of Sciences. 103:16965–16970.
Lima CRibeiro, Carels N, Guimaraes ACarolina R, Tuffery P, Derreumaux P.  2016.  In silico structural characterization of protein targets for drug development against Trypanosoma cruzi. J. Mol. Model.. 22
Cazals F, Dreyfus T., Mazauric D., Roth A., Robert CH.  2014.  INRIA Tech Report: Conformational ensembles and sampled landscapes: analysis and comparison..
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.
Robert CH, Cherfils J, Mouawad L, Perahia D.  2004.  Integrating three views of Arf1 activation dynamics. J. Mol. Biol.. 337:969–983.
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.
Esmenjaud J-B, Stroebel D, Chan K, Grand T, David M, Wollmuth LP, Taly A, Paoletti P.  2019.  An inter-dimer allosteric switch controls NMDA receptor activity. The EMBO journal. 38
Collectif(M. Baaden et al.).  2010.  Itinéraires Bis. Mon parcours de jeune chercheur : 13 chercheurs du CNRS témoignent..
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Engelen S, Trojan LA, Sacquin-Mora S, Lavery R, Carbone A.  2009.  Joint Evolutionary Trees: A Large-Scale Method To Predict Protein Interfaces Based on Sequence Sampling. Plos Comput. Biol.. 5:e1000267.
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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.
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.
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Lemoine D, Jiang R, Taly A, Chataigneau T, Specht A, Grutter T.  2012.  Ligand-gated ion channels: new insights into neurological disorders and ligand recognition. Chem. Rev.. 112:6285–6318.
Sterpone F, Ceccarelli M., Marchi M..  2003.  Linear response and electron transfer in complex biomolecules systems and Reaction Center Protein. J. Phys. Chem. B. 107:11208–11215.
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.
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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.
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.
Abdollahi N, Albani A, Anthony E, Baud A, Cardon M, Clerc R, Czernecki D, Conte R, David L, Delaune A et al..  2018.  Meet-U: Educating through research immersion. PLOS Computational Biology. 14:1-10.
Abdollahi N, Albani A, Anthony E, Baud A, Cardon M, Clerc R, Czernecki D, Conte R, David L, Delaune A et al..  2018.  Meet-U: Educating through research immersion. PLOS Computational Biology. 14:1-10.

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