Publications

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2009
Maupetit J, Derreumaux P, Tuffery P.  2009.  PEP-FOLD: an online resource for de novo peptide structure prediction. Nucleic Acids Res.. 37:W498-W503.
Maupetit J, Derreumaux P, Tuffery P.  2009.  PEP-FOLD: an online resource for de novo peptide structure prediction.. Nucleic Acids Res.. 37:W498–W503.
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.
Adkins NL, McBryant SJ, Johnson CN, Leidy JM, Woodcock CL, Robert CH, Hansen JC, Georgel PT.  2009.  Role of nucleic acid binding in Sir3p-dependent interactions with chromatin fibers.. Biochemistry. 48:276–288.
Mo Y, Lu Y, Wei G, Derreumaux P.  2009.  Structural diversity of the soluble trimers of the human amylin(20-29) peptide revealed by molecular dynamics simulations. J. Chem. Phys.. 130:125101.
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.
Lu Y, Derreumaux P, Guo Z, Mousseau N, Wei G.  2009.  Thermodynamics and dynamics of amyloid peptide oligomerization are sequence dependent. Proteins: Struct., Funct., Bioinf.. 75:954–963.
2010
Mazur AK.  2010.  Anharmonic torsional stiffness of DNA revealed under small external torques. Phys. Rev. Lett.. 105:018102.
Batista PR, Robert CH, Maréchal J-D, Ben Hamida–Reba\"ı M, Pascutti P, Bisch PM, Perahia DP.  2010.  Consensus Modes, a robust description of protein collective motions from multiple-minima normal mode analysis–application to the HIV-1 protease.. Phys. Chem. Chem. Phys.. 12:2850–2859.
Maupetit J, Derreumaux P, Tuffery P.  2010.  A Fast Method for Large-Scale De Novo Peptide and Miniprotein Structure Prediction. J. Comput. Chem.. 31:726–738.
Jiang R., Martz A., Gonin S., Taly A, de Carvalho L.P, Grutter T..  2010.  A putative extracellular salt bridge at the subunit interface contributes to the ion channel function of the ATP-gated P2X2 receptor. J. Biol. Chem.. 285:15805–15815.
Valleix S., Derreumaux P, Garnier C., Briki F., Boimard M., Doucet J., Rioux-Leclercq N., Martin L., Grateau G., Delpech M. et al..  2010.  The VLITL aggregation-prone motif might trigger amyloid fibril formation of fibrinogen A alpha-chain frameshift variants in vivo. Amyloid-journal of Protein Folding Disorders. 17:96–97.
Sterpone F, Bertonati C, Briganti G, Melchionna S.  2010.  Water around thermophilic proteins: the role of charged and apolar atoms. J Phys: Cond Matt. 22:284113.
2011
Nasica-Labouze J, Meli M, Derreumaux P, Colombo G, Mousseau N.  2011.  Characterization of the Aggregation Pathway for a 20-mer of GNNQQNY using Coarse-Grained and All-Atom Representations. Biophys. J.. 100:BiophysSoc.
Nasica-Labouze J, Meli M, Derreumaux P, Colombo G, Mousseau N.  2011.  Characterization of the Aggregation Pathway for a 20-mer of GNNQQNY using Coarse-Grained and All-Atom Representations. Biophys. J.. 100:BiophysSoc.
Sterpone F, Martinazzo R., Panda A.N., Burghardt I..  2011.  Coherent Excitation Transfer Driven by Torsional Dynamics: a Model Hamiltonian for PPV Type Systems. Zeitschrift Für Physikalische Chemie. 255:541–551.
Fleishman SJ, Whitehead TA, Strauch E-M, Corn JE, Qin S, Zhou H-X, Mitchell JC, Demerdash ONA, Takeda-Shitaka M, Terashi G et al..  2011.  Community-wide assessment of protein-interface modeling suggests improvements to design methodology.. J. Mol. Biol.. 414:289–302.
Fleishman SJ, Whitehead TA, Strauch E-M, Corn JE, Qin S, Zhou H-X, Mitchell JC, Demerdash ONA, Takeda-Shitaka M, Terashi G et al..  2011.  Community-wide assessment of protein-interface modeling suggests improvements to design methodology.. J. Mol. Biol.. 414:289–302.
Fleishman SJ, Whitehead TA, Strauch E-M, Corn JE, Qin S, Zhou H-X, Mitchell JC, Demerdash ONA, Takeda-Shitaka M, Terashi G et al..  2011.  Community-wide assessment of protein-interface modeling suggests improvements to design methodology.. J. Mol. Biol.. 414:289–302.
Fleishman SJ, Whitehead TA, Strauch E-M, Corn JE, Qin S, Zhou H-X, Mitchell JC, Demerdash ONA, Takeda-Shitaka M, Terashi G et al..  2011.  Community-wide assessment of protein-interface modeling suggests improvements to design methodology.. J. Mol. Biol.. 414:289–302.
Taly A, Colas C., Malliavin T., Blondel A., Nilges M., Corringer P.J, Joseph D..  2011.  Discrimination of agonists versus antagonists of nicotinic ligands based on docking onto AChBP structures. J. Mol. Graph. Model.. 30:100–109.
Cote S, Derreumaux P, Mousseau N.  2011.  Distinct Morphologies for Amyloid Beta Protein Monomer: A beta(1-40), A beta(1-42), and A beta(1-40)(D23N). J. Chem. Theory Comput.. 7:2584–2592.
Jiang R., Lemoine D., Martz A., Taly A, Gonin S., L. de Carvalho P, Specht A., Grutter T..  2011.  Agonist trapped in ATP-binding sites of the P2X2 receptor. Proc. Natl. Acad. Sci. U.s.a.. 108:9066–9071.
Xu W, Zhang C, Derreumaux P, Graslund A, Morozova-Roche L, Mu Y.  2011.  Intrinsic Determinants of A beta(12-24) pH-Dependent Self-Assembly Revealed by Combined Computational and Experimental Studies. Plos One. 6:e24329.
Xu W, Zhang C, Derreumaux P, Graslund A, Morozova-Roche L, Mu Y.  2011.  Intrinsic Determinants of A beta(12-24) pH-Dependent Self-Assembly Revealed by Combined Computational and Experimental Studies. Plos One. 6:e24329.

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