Publications

Export 213 results:
Author Title [ Type(Asc)] Year
Filters: Author is Derreumaux, Phillipe  [Clear All Filters]
Journal Article
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
Wei G, Song W, Derreumaux P, Mousseau N.  2008.  Self-assembly of amyloid-forming peptides by molecular dynamics simulations. Front. Biosci.. 13:5681–5692.
Wei G.H, Mousseau N., Derreumaux P.  2004.  Sampling the self-assembly pathways of KFFE hexamers. Biophys. J.. 87:3648–3656.
Wei GH, Derreumaux P, Mousseau N.  2003.  Sampling the complex energy landscape of a simple beta-hairpin. J. Chem. Phys.. 119:6403–6406.
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.
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.
Melquiond A, Dong X, Mousseau N, Derreumaux P.  2008.  Role of the region 23-28 in A beta fibril formation: Insights from simulations of the monomers and dimers of Alzheimer's peptides A beta 40 and A beta 42. Curr. Alzheimer Res.. 5:244–250.
Derreumaux P.  2003.  Role of supersecondary structural elements in protein G folding. J. Chem. Phys.. 119:4940–4944.
Nishikawa N., Nguyen PHoang, Derreumaux P, Okamoto Y..  2013.  Replica-exchange molecular dynamics simulations of the amyloid-beta(16-22) fragments. European Biophysics Journal with Biophysics Letters. 42:S68.
Nishikawa N, Nguyen PHoang, Derreumaux P, Okamoto Y.  2015.  Replica-exchange molecular dynamics simulation for understanding the initial process of amyloid peptide aggregation. Mol. Simul.. 41:1041–1044.
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.
Man VHoang, Li MSuan, Derreumaux P, Nguyen PHoang.  2018.  Rayleigh-Plesset equation of the bubble stable cavitation in water: A nonequilibrium all-atom molecular dynamics simulation study. The Journal of Chemical Physics. 148:094505.
PETICOLAS WL, WILSON KJ, Derreumaux P, VERGOTEN G.  1989.  RAMAN-SPECTROSCOPY, MOLECULAR-FORCE FIELDS, AND THE DYNAMICS OF BIOLOGICAL MOLECULES. Chemica Scripta. 29A:113–122.
da Silva FLuis Barro, Derreumaux P, Pasquali S.  2017.  Protein-RNA complexation driven by the charge regulation mechanism.. Biochem Biophys Res Commun.
Sterpone F, Derreumaux P, Melchionna S.  2015.  Protein Simulations in Fluids: Coupling the OPEP Coarse-Grained Force Field with Hydrodynamics. J. Chem. Theory Comput.. 11:1843–1853.

Pages