Publications

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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.  2010.  A Fast Method for Large-Scale De Novo Peptide and Miniprotein Structure Prediction. J. Comput. Chem.. 31:726–738.
Maupetit J, Derreumaux P, Tuffery P.  2009.  A fast method for large-scale De Novo peptide and miniprotein structure prediction.. J. Comput. Chem..
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.  2003.  Fluide nanoconfines dans des systemes de basse symetrie : Simulations et Theorie.
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.
Derreumaux P.  2005.  Following the aggregation of amyloid-forming peptides by computer simulations.. Abstracts of Papers of the American Chemical Society. 229:U735.
Perales-Calvo J, Giganti D, Stirnemann G, Garcia-Manyes S.  2018.  The force-dependent mechanism of DnaK-mediated mechanical folding. Sci Adv. 4:eaaq0243.
Dauchez M, LAGANT P, Derreumaux P, VERGOTEN G, SEKKAL M, SOMBRET B.  1994.  FORCE-FIELD AND VIBRATIONAL-SPECTRA OF OLIGOSACCHARIDES WITH DIFFERENT GLYCOSIDIC LINKAGES .2. MALTOSE MONOHYDRATE, CELLOBIOSE AND GENTIOBIOSE. Spectrochimica Acta Part A-molecular and Biomolecular Spectroscopy. 50:105–118.
Dauchez M, Derreumaux P, LAGANT P, VERGOTEN G, SEKKAL M, LEGRAND P.  1994.  FORCE-FIELD AND VIBRATIONAL-SPECTRA OF OLIGOSACCHARIDES WITH DIFFERENT GLYCOSIDIC LINKAGES .1. TREHALOSE DIHYDRATE, SOPHOROSE MONOHYDRATE AND LAMINARIBIOSE. Spectrochimica Acta Part A-molecular and Biomolecular Spectroscopy. 50:87–104.
Beedle AEM, Mora M, Davis CT, Snijders AP, Stirnemann G, Garcia-Manyes S.  2018.  Forcing the reversibility of a mechanochemical reaction. Nat Commun. 9:3155.
Hénin J, Baaden M, Taly A.  2014.  Foundations of Biomolecular Simulations: A Critical Introduction to Homology Modeling, Molecular Dynamics Simulations, and Free Energy Calculations of Membrane Proteins. Membrane Proteins Production for Structural Analysis. :347–392.
Nguyen PH, Stock G, Mittag E, Hu CK, Li MS.  2005.  Free energy landscape and folding mechanism of a beta-hairpin in explicit water: A replica exchange molecular dynamics study. Proteins: Struct., Funct., Bioinf.. 61:795–808.
Batista PR, Pandey G, Bisch PM, Pascutti PG, Perahia D, Robert CH.  2011.  Free energy profiles along consensus normal modes provide insight into HIV-1 protease flap opening. J. Chem. Theor. Comput.. 7:2348–52.
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.
Riccardi L, Nguyen PH, Stock G.  2009.  Free-Energy Landscape of RNA Hairpins Constructed via Dihedral Angle Principal Component Analysis. J. Phys. Chem. B. 113:16660–16668.
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.

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