Publications

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Nury H., Van Renterghem C., Weng Y., Tran A., Baaden M, Dufresne V., Changeux J.-P., Sonner J.M, Delarue M., Corringer P.-J..  2011.  X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel. Nature. 469:428–431.
Bocquet N., Nury H., Baaden M, Le Poupon C., Changeux J.P, Delarue M., Corringer P.J.  2009.  X-ray structure of a pentameric ligand-gated ion channel in an apparently open conformation. Nature. 457:111–114.
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Doig AJ, Del Castillo-Frias MP, Berthoumieu O, Tarus B, Nasica-Labouze J, Sterpone F, Nguyen PHoang, Hooper NM, Faller P, Derreumaux P.  2017.  Why Is Research on Amyloid-β Failing to Give New Drugs for Alzheimer's Disease? ACS Chem Neurosci. 8(7):1435-1437.
Doig AJ, Del Castillo-Frias MP, Berthoumieu O, Tarus B, Nasica-Labouze J, Sterpone F, Nguyen PHoang, Hooper NM, Faller P, Derreumaux P.  2017.  Why Is Research on Amyloid-β Failing to Give New Drugs for Alzheimer's Disease? ACS Chem Neurosci. 8(7):1435-1437.
Nasica-Labouze J, Tarus B, Nguyen PHoang, Derreumaux P.  2015.  What Computational Methods can Teach us about the Alzheimer-Protective Nature of A2V-and A2T-Mutant Amyloid-Beta Oligomers. Biophys. J.. 108:204A-204A.
Nasica-Labouze J, Tarus B, Nguyen PHoang, Derreumaux P.  2015.  What Computational Methods can Teach us about the Alzheimer-Protective Nature of A2V-and A2T-Mutant Amyloid-Beta Oligomers. Biophys. J.. 108:204A-204A.
Murail S, Vasiliu T, Neamtu A, Barboiu M, Sterpone F, Baaden M.  2018.  Water permeation across artificial I-quartet membrane channels: from structure to disorder.. Faraday Discuss. 209:125-148.
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Garnier C, Briki F, Nedelec B, Le Pogamp P, Dogan A, Rioux-Leclercq N, Goude R, Beugnet C, Martin L, Delpech M et al..  2017.  VLITL is a major cross-β-sheet signal for fibrinogen Aα-chain frameshift variants.. Blood. 130(25):2799-2807.
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Férey N, Bouyer G., Martin C., Bourdot P., Nelson J., Burkhardt andJM.  2008.  User Needs Analysis to Design a 3D Multimodal Protein-Docking Interface. Symposium on 3D User Interfaces 2008 (3DUI 2008 - IEEE). :125–132.
Nguyent P, Derreumaux P.  2014.  Understanding Amyloid Fibril Nucleation and A beta Oligomer/Drug Interactions from Computer Simulations. Acc. Chem. Res.. 47:603–611.
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Corringer P.J, Baaden M, Bocquet N., Delarue M., Dufresne V., Nury H., Prevost M., Van Renterghem C..  2010.  Atomic structure and dynamics of pentameric ligand-gated ion channels: new insight from bacterial homologues. J. Physiol. (lond.). 588:565–572.
Tai K, Baaden M, Murdock S, Wu B, Ng MHong, Johnston S, Boardman R, Fangohr H, Cox K, Essex JW et al..  2007.  Three hydrolases and a transferase: Comparative analysis of active-site dynamics via the BioSimGrid database. Journal of Molecular Graphics \& Modelling. 25:896–902.
Nguyen PHoang, Campanera JM, Ngo STung, Loquet A, Derreumaux P.  2019.  Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. I. In a Bilayer Mimicking a Neuronal Membrane.. J Phys Chem B. 123(17):3643-3648.
Nguyen PHoang, Campanera JM, Ngo STung, Loquet A, Derreumaux P.  2019.  Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. I. In a Bilayer Mimicking a Neuronal Membrane.. J Phys Chem B. 123(17):3643-3648.
Nguyen PHoang, Campanera JM, Ngo STung, Loquet A, Derreumaux P.  2019.  Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. II. In Aqueous Solution.. J Phys Chem B. 123(31):6750-6756.
Nguyen PHoang, Campanera JM, Ngo STung, Loquet A, Derreumaux P.  2019.  Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. II. In Aqueous Solution.. J Phys Chem B. 123(31):6750-6756.
Derreumaux P, Man VHoang, Wang J, Nguyen PHoang.  2020.  Tau R3-R4 Domain Dimer of the Wild Type and Phosphorylated Ser356 Sequences. I. In Solution by Atomistic Simulations.. J Phys Chem B.
Stadler A.M, Garvey C.J, Bocahut A., Sacquin-Mora S, Digel I., Schneider G.J, Natali F., Artmann G.M, Zaccai G..  2012.  Thermal fluctuations of haemoglobin from different species: adaptation to temperature via conformational dynamics. J. R. Soc. Interface. 9:2845–2855.
Nawrocki W.J, Tourasse N.J, Taly A, Rappaport F., Wollman F.A.  2015.  The plastid terminal oxidase: its elusive function points to multiple contributions to plastid physiology. Annu. Rev. Plant Biol.. 66:49–74.
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Solovjeva T.F, Naberezhnykh G.A, Mazur AK, Khomenko V.A, Ovodov Y.S.  1986.  A study of interaction of an O-specific polysaccharide from Pseudomonas fluorescense with antibodies. Bioorg. Chem.. 12:265–272.
Tarus B, Tran T-T, Nasica-Labouze J, Sterpone F, Nguyen PHoang, Derreumaux P.  2015.  Structures of the Alzheimer’s Wild-Type A beta 1-40 Dimer from Atomistic Simulations. J. Phys. Chem. B. 119:10478–10487.
Tarus B, Tran T-T, Nasica-Labouze J, Sterpone F, Nguyen PHoang, Derreumaux P.  2015.  Structures of the Alzheimer’s Wild-Type A beta 1-40 Dimer from Atomistic Simulations. J. Phys. Chem. B. 119:10478–10487.
Chebaro Y, Jiang P, Zang T, Mu Y, Nguyen PHoang, Mousseau N, Derreumaux P.  2012.  Structures of A beta 17-42 Trimers in Isolation and with Five Small-Molecule Drugs Using a Hierarchical Computational Procedure. J. Phys. Chem. B. 116:8412–8422.
Baaden M, Barboiu M, Bill RM, Casanova S, Chen C-L, Conner M, Freger V, Gong B, Góra A, Hinds B et al..  2018.  Structure and function of natural proteins for water transport: general discussion.. Faraday Discuss. 209:83-95.
Nguyen PHoang, Mu YG, Stock G.  2005.  Structure and energy landscape of a photoswitchable peptide: A replica exchange molecular dynamics study. Proteins: Struct., Funct., Bioinf.. 60:485–494.

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