Publications

Export 782 results:
Author Title [ Type(Desc)] Year
Journal Article
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, 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.
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.
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.
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.
Derreumaux P.  1999.  From polypeptide sequences to structures using Monte Carlo simulations and an optimized potential. J. Chem. Phys.. 111:2301–2310.
Sommer B, Baaden M, Krone M, Woods A.  2018.  From Virtual Reality to Immersive Analytics in Bioinformatics.. J Integr Bioinform. 15(2)
Sacquin-Mora S, Delalande O., Baaden M.  2010.  Functional Modes and Residue Flexibility Control the Anisotropic Response of Guanylate Kinase to Mechanical Stress. Biophys. J.. 99:3412–3419.
Lv Z., Tek A., Da Silva F., Empereur-mot C., Chavent M, Baaden M..  2013.  Game on, science - how video game technology may help biologists tackle visualization challenges. Plos One. 8:e57990.
Timsit Y, Moras D..  1991.  Groove-backbone interaction in B-DNA. Implication for DNA condensation and recombination. J. Mol. Biol.. 221:919–940.
Bishop G.A, Parody-Morreale A., Robert C., Gill S.J and.  1987.  Gas-solution microcalorimeter for determining heat binding curves. Rev. Sci. Instr.. 58:632–638.

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