Publications

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2020
Ngo STung, Nguyen PHoang, Derreumaux P.  2020.  Stability of Aβ11-40 Trimers with Parallel and Antiparallel β-Sheet Organizations in a Membrane-Mimicking Environment by Replica Exchange Molecular Dynamics Simulation. The Journal of Physical Chemistry B.
2017
Lu Y, Shi X-F, Salsbury FR, Derreumaux P.  2017.  Small static electric field strength promotes aggregation-prone structures in amyloid-β(29-42).. J Chem Phys. 146(14):145101.
2015
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.
2012
Lu Y, Wei G, Derreumaux P.  2012.  Structural, thermodynamical, and dynamical properties of oligomers formed by the amyloid NNQQ peptide: Insights from coarse-grained simulations. J. Chem. Phys.. 137:025101.
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.
2011
Cote S, Laghaei R, Derreumaux P, Mousseau N.  2011.  Simulation of the Oligomerization Pathway for Different Alloforms of the Amyloid Beta Protein Related to Alzheimer's Disease. Biophys. J.. 100:401.
2009
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.
2008
Wei G, Song W, Derreumaux P, Mousseau N.  2008.  Self-assembly of amyloid-forming peptides by molecular dynamics simulations. Front. Biosci.. 13:5681–5692.
Song W, Wei G, Mousseau N, Derreumaux P.  2008.  Self-assembly of the beta 2-microglobulin NHVTLSQ peptide using a coarse-grained protein model reveals beta-barrel species. J. Phys. Chem. B. 112:4410–4418.
Derreumaux P.  2008.  Simulating the early steps of amyloid fibril formation and disassembly. Publication Series of the John von Neumann Institute for Computing NIC Series. 40:7–12.
2007
Yun M-R, Mousseau N., Derreumaux P.  2007.  Sampling small-scale and large-scale conformational changes in proteins and molecular complexes. J. Chem. Phys.. 126:105101.
De Simone A, Zagari A, Derreumaux P.  2007.  Structural and hydration properties of the partially unfolded states of the prion protein. Biophys. J.. 93:1284–1292.
Liang C, Derreumaux P, Wei G.  2007.  Structure and aggregation mechanism of beta 2-microglobulin (83-99) peptides studied by molecular dynamics Simulations. Biophys. J.. 93:3353–3362.
2006
Melquiond A, Mousseau N, Derreumaux P.  2006.  Structures of soluble amyloid oligomers from computer simulations. Proteins: Struct., Funct., Bioinf.. 65:180–191.
2004
Wei G.H, Mousseau N., Derreumaux P.  2004.  Sampling the self-assembly pathways of KFFE hexamers. Biophys. J.. 87:3648–3656.
Floquet N, Hery-Huynh S, Dauchez M, Derreumaux P, Tamburro AM, Alix AJP.  2004.  Structural characterization of VGVAPG, an elastin-derived peptide. Biopolymers. 76:266–280.
2003
Wei GH, Derreumaux P, Mousseau N.  2003.  Sampling the complex energy landscape of a simple beta-hairpin. J. Chem. Phys.. 119:6403–6406.
2002
Arluison V, Derreumaux P, Allemand F, Folichon M, Hajnsdorf E, Regnier P.  2002.  Structural modelling of the Sm-like protein Hfq from Escherichia coli. J. Mol. Biol.. 320:705–712.
2001
Mousseau N, Derreumaux P, Barkema GT, Malek R.  2001.  Sampling activated mechanisms in proteins with the activation-relaxation technique. Journal of Molecular Graphics \& Modelling. 19:78–86.
1993
Derreumaux P, Dauchez M, VERGOTEN G.  1993.  THE STRUCTURES AND VIBRATIONAL FREQUENCIES OF A SERIES OF ALKANES USING THE SPASIBA FORCE-FIELD. J. Mol. Struct.. 295:203–221.