Publications

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2009
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.
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, 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.
Deliot N, Chavent M, Nourry C, Lecine P, Arnaud C, Hermant A, Maigret B, Borg J.-P..  2009.  New Insight into the interaction between erbin and smad3: a non-classical binding interface for the erbin PDZ domain. Biochem. Biophys. Res. Commun.. 378:360–365.
Chebaro Y, Dong X, Laghaei R, Derreumaux P, Mousseau N.  2009.  Replica exchange molecular dynamics simulations of coarse-grained proteins in implicit solvent.. J. Phys. Chem. B. 113:267–274.
Chebaro Y, Mousseau N, Derreumaux P.  2009.  Structures and Thermodynamics of Alzheimer's Amyloid-beta A beta(16-35) Monomer and Dimer by Replica Exchange Molecular Dynamics Simulations: Implication for Full-Length A beta Fibrillation. J. Phys. Chem. B. 113:7668–7675.
Chebaro Y, Derreumaux P.  2009.  Targeting the early steps of A beta 16-22 protofibril disassembly by N-methylated inhibitors: A numerical study. Proteins: Struct., Funct., Bioinf.. 75:442–452.
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.
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.
2008
Hénin J, Tajkhorshid E, Schulten K, Chipot C.  2008.  Diffusion of glycerol through Escherichia coli aquaglyceroporin GlpF. Biophys. J.. 94:832–839.
Cailliez F, Stirnemann G, Boutin A, Demachy I, Fuchs AH.  2008.  Does water condense in hydrophobic cavities? A molecular simulation study of hydration in heterogeneous nanopores J. Phys. Chem. C. 112:10435–10445.
Dong X, Chen W, Mousseau N, Derreumaux P.  2008.  Energy landscapes of the monomer and dimer of the Alzheimer's peptide A beta(1-28). J. Chem. Phys.. 128:125108.
Backus EHG, Nguyen PHoang, Botan V, Pfister R, Moretto A, Crisma M, Toniolo C, Stock G, Hamm P.  2008.  Energy transport in peptide helices: A comparison between high- and low-energy excitations. J. Phys. Chem. B. 112:9091–9099.
Taly A, Changeux J-P.  2008.  Functional organization and conformational dynamics of the nicotinic receptor: a plausible structural interpretation of myasthenic mutations. Ann. N. Y. Acad. Sci.. 1132:42–52.
Chebaro Y, Derreumaux P.  2008.  Free energy surface of Abeta(16-22) complexed by N-methylated Abeta16-22 inhibitors. Publication Series of the John von Neumann Institute for Computing NIC Series. 40:177–179.
Sacquin-Mora S, Carbone A., Lavery R.  2008.  Identification of Protein Interaction Partners and Protein-Protein Interaction Sites. J. Mol. Biol.. 382:1276–1289.
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.
Chavent M, Levy B, Maigret B.  2008.  MetaMol: High quality visualization of Molecular Skin Surface. J. Mol. Graphics Modell.. 27:209–213.
Neri M, Baaden M, Carnevale V, Anselmi C, Maritan A, Carloni P.  2008.  Microseconds dynamics simulations of the outer-membrane protease T. Biophys. J.. 94:71–78.
Neri M, Baaden M, Carnevale V, Anselmi C, Maritan A, Carloni P.  2008.  Microseconds dynamics simulations of the outer-membrane protease T. Biophys. J.. 94:71–78.
Beautrait A, Leroux V, Chavent M, Ghemtio L, Devignes M.-D, Smail-Tabbone M, Cai W, Shao X, Moreau G, Bladon P et al..  2008.  Multiple-step virtual screening using VSM-G: Overview and validation of fast geometrical matching enrichment. J. Mol. Model.. 14:393–401.
Beautrait A, Leroux V, Chavent M, Ghemtio L, Devignes M.-D, Smail-Tabbone M, Cai W, Shao X, Moreau G, Bladon P et al..  2008.  Multiple-step virtual screening using VSM-G: Overview and validation of fast geometrical matching enrichment. J. Mol. Model.. 14:393–401.
Changeux J-P, Taly A.  2008.  Nicotinic receptors, allosteric proteins and medicine. Trends Mol. Med.. 14:93–102.
Colas C., Nguyen PHoang, Gelly J-C., Derreumaux P.  2008.  OPERA: An OPtimized coarsed-grained Energy model for RnA. Publication Series of the John von Neumann Institute for Computing NIC Series. 40:185–187.
Timsit Y, Allemand F, C C, Springer M.  2008.  Order-disorder transitions in ribosome assembly. Ribosomal proteins,.

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