Publications

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Author Title [ Type(Desc)] Year
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Conference Paper
Derreumaux P.  2005.  Following the aggregation of amyloid-forming peptides by computer simulations.. Abstracts of Papers of the American Chemical Society. 229:U735.
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.
Férey N., Delalande O., Grasseau G., Baaden M..  2008.  From Interactive to Immersive Molecular Dynamics. Workshop on Virtual Reality Interaction and Physical Simulation (VRIPHYS 08 - Eurographics). :89–96.
Chavent M, Piuzzi M, Tek A, Baaden M.  2011.  FvNano: A Virtual Laboratory to Manipulate Molecular Systems. 1st IEEE symposium on biological data visualization, Providence, RI @ ieee visweek, 2011, N# 136.
Journal Article
Sacquin-Mora S.  2015.  Fold and flexibility: what can proteins' mechanical properties tell us about their folding nucleus? J. R. Soc. Interface. 12
Parton D.L, Tek A., Baaden M., Sansom M.S.  2013.  Formation of raft-like assemblies within clusters of influenza hemagglutinin observed by MD simulations. Plos Comput. Biol.. 9:e1003034.
Nasiripourdori A., Taly V., Grutter T., Taly A.  2011.  From toxins targeting ligand gated ion channels to therapeutic molecules. Toxins (basel). 3:260–293.
Bocahut A., Bernad S., Sebban P., Sacquin-Mora S.  2011.  Frontier residues lining globin internal cavities present specific mechanical properties. J. Am. Chem. Soc.. 133:8753–8761.
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.
Nguyen PH, Tarus B, Derreumaux P.  2014.  Familial Alzheimer A2 V Mutation Reduces the Intrinsic Disorder and Completely Changes the Free Energy Landscape of the A beta 1-28 Monomer. J. Phys. Chem. B. 118:501–510.
da Silva FLuis Barro, Derreumaux P, Pasquali S.  2017.  Fast coarse-grained model for RNA titration.. J Chem Phys. 146(3):035101.
Maupetit J, Derreumaux P, Tuffery P.  2009.  A fast method for large-scale De Novo peptide and miniprotein structure prediction.. J. Comput. Chem..
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.
Gabb HA, Sanghani SR, Robert CH, Prévost C.  1996.  Finding and visualizing nucleic acid base stacking. J Mol Graph. 14:6–11.
Derreumaux P.  1998.  Finding the low-energy forms of avian pancreatic polypeptide with the diffusion-process-controlled Monte Carlo method. J. Chem. Phys.. 109:1567–1574.
Tuffery P, Derreumaux P.  2012.  Flexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches. Journal of the Royal Society Interface. 9:20–33.
Pasquali S., Maggs A.C..  2008.  Fluctuation-induced interactions between dielectrics. J. Chem. Phys.. 129:014703.
Sacquin-Mora S, Schoen M., Fuchs A.H.  2003.  Fluid phase transitions at chemically heterogeneous, nonplanar solid substrates: Surface versus confinement effects. J. Chem. Phys.. 118:1453–1465.
Sacquin-Mora S, Schoen M., Fuchs A.H.  2002.  Fluids confined by nanopatterned substrates of low symmetry. Mol. Phys.. 100:2971–2982.
Derreumaux P.  1997.  Folding a 20 amino acid alpha beta peptide with the diffusion process-controlled Monte Carlo method. J. Chem. Phys.. 107:1941–1947.
Broglia R.A., Tiana G., Pasquali S., Roman H.E, Vigezzi E..  1998.  Folding and Aggregation of Designed Protein Chains. Proc. Natl. Acad. Sci. Usa. 95:12930–1293.
Zhang T, Nguyen PH, Nasica-Labouze J, Mu Y, Derreumaux P.  2015.  Folding Atomistic Proteins in Explicit Solvent Using Simulated Tempering. J. Phys. Chem. B. 119:6941–6951.
Melquiond A, Boucher G, Mousseau N, Derreumaux P.  2005.  Following the aggregation of amyloid-forming peptides by computer simulations. J. Chem. Phys.. 122:174904.

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