Publications

Export 809 results:
Author Title [ Type(Asc)] Year
Journal Article
Férey N, Gros P.-E., Hérisson J., Gherbi R..  2005.  Immersive graph-based visualization and exploration of biological data relationships. Data Sci. J.. 4:189–194.
Selmane T, Camadro JM, Conilleau S, Fleury F, Tran V, Prévost C, Takahashi M.  2004.  Identification of the subunit-subunit interface of Xenopus Rad51.1 protein: Similarity to RecA. J. Mol. Biol.. 335:895–904.
Sacquin-Mora S, Carbone A., Lavery R.  2008.  Identification of Protein Interaction Partners and Protein-Protein Interaction Sites. J. Mol. Biol.. 382:1276–1289.
Heddi B., Oguey C., Lavelle C., Foloppe N., Hartmann B..  2010.  Intrinsic flexibility of B-DNA: the experimental TRX scale. Nucleic Acids Res.. 38:1034–1047.
Jiang R., Taly A, Lemoine D., Martz A., Specht A., Grutter T..  2012.  Intermediate closed channel state(s) precede(s) activation in the ATP-gated P2X2 receptor. Channels (austin). 6:398–402.
Molza A.E, Férey N, Czjzek M, Le Rumeur E, Hubert J.F, Tek A, Laurent B, Baaden M, Delalande O..  2014.  Innovative interactive flexible docking method for multi-scale reconstruction elucidates dystrophin molecular assembly. Faraday Discuss.. 169:45–62.
Taly A, Corringer P.J, Grutter T., L. de Carvalho P, Karplus M., Changeux J-P.  2006.  Implications of the quaternary twist allosteric model for the physiology and pathology of nicotinic acetylcholine receptors. Proc. Natl. Acad. Sci. U.s.a.. 103:16965–16970.
Grutter T., de Carvalho L.P, Dufresne V., Taly A, Changeux J-P.  2006.  Identification of two critical residues within the Cys-loop sequence that determine fast-gating kinetics in a pentameric ligand-gated ion channel. J. Mol. Neurosci.. 30:63–64.
Hénin J, Chipot C.  2006.  Hydrogen-bonding patterns of cholesterol in lipid membranes. Chem. Phys. Lett.. 425:329–335.
Chiricotto M, Melchionna S, Derreumaux P, Sterpone F.  2016.  Hydrodynamic effects on beta-amyloid (16-22) peptide aggregation. J. Chem. Phys.. 145
Briganti G, D'arrigo G, Maccarini M, Pierleoni C, Sterpone F.  2005.  Hydration and thermodynamic equilibrium of non-ionic surfactant in solution. Coll Surf A. 261:93–99.
Roth CA, Dreyfus T, Robert CH, Cazals F.  2016.  Hybridizing Rapidly Exploring Random Trees and Basin Hopping Yields an Improved Exploration of Energy Landscapes. J. Comput. Chem.. 37:752.
Hénin J, Lopes LJS, Fiorin G.  2022.  Human Learning for Molecular Simulations: The Collective Variables Dashboard in VMD.. J Chem Theory Comput. 18(3):1945-1956.
Kamashev D, Balandina A, Mazur AK, Arimondo PB, Rouviere-Yan, iv J.  2008.  HU binds and folds single-stranded DNA. Nucl. Acids Res.. 36:1026–1036.
Spichty M, Taly A, Hagn F, Kessler H, Barluenga S, Winssinger N, Karplus M.  2009.  The HSP90 binding mode of a radicicol-like E-oxime determined by docking, binding free energy estimations, and NMR 15 N chemical shifts. Biophys. Chem.. 143:111–123.
Pizzitutti F, Marchi M, Sterpone F, Rossky PJ.  2007.  How protein surfaces induce anomalous dynamics of hydration water. J. Phys. Chem. B. 111:7584–90.
Mondal J, Halverson D, Li ITS, Stirnemann G, Walker GC, Berne BJ.  2015.  How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory.. Proc. Natl. Acad. Sci. Usa. 112:9270–5.
Stirnemann G, Kang S-gu, Zhou R, Berne BJ.  2014.  How force unfolding differs from chemical denaturation.. Proc. Natl. Acad. Sci. U.s.a. 111:3413–8.
Costa MGS, Batista PR, Shida CS, Robert CH, Bisch PM, Pascutti PG.  2010.  How does heparin prevent the pH inactivation of cathepsin B? Allosteric mechanism elucidated by docking and molecular dynamics. Bmc Genomics. 11, S5
Kalimeri M, Rahaman O, Melchionna S, Sterpone F.  2013.  How Conformational Flexibility Stabilizes the Hyperthermophilic Elongation Factor G-Domain. J. Phys. Chem. B. 117:13775–13785.
Hegger R, Altis A, Nguyen PHoang, Stock G.  2007.  How complex is the dynamics of peptide folding? Phys. Rev. Lett.. 98
Mazur AK.  2016.  Homologous Pairing between Long DNA Double Helices. Phys. Rev. Lett.. 116:158101.
Elbahnsi A, Retureau R, Baaden M, Hartmann B, Oguey C.  2018.  Holding the Nucleosome Together: A Quantitative Description of the DNA-Histone Interface in Solution.. J Chem Theory Comput. 14(2):1045-1058.
Pasquali S, Derreumaux P.  2010.  HiRE-RNA: A High Resolution Coarse-Grained Energy Model for RNA. J. Phys. Chem. B. 114:11957–11966.
Man VHoang, Nguyen PHoang, Derreumaux P.  2017.  High-Resolution Structures of the Amyloid-β 1-42 Dimers from the Comparison of Four Atomistic Force Fields.. J Phys Chem B. 121(24):5977-5987.

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