Publications

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C
Hitaishi VPratap, Clement R, Bourassin N, Baaden M, de Poulpiquet A, Sacquin-Mora S, Ciaccafava A, Lojou E.  2018.  Controlling Redox Enzyme Orientation at Planar Electrodes. Catalysts. 8
Hitaishi VPratap, Clement R, Bourassin N, Baaden M, de Poulpiquet A, Sacquin-Mora S, Ciaccafava A, Lojou E.  2018.  Controlling Redox Enzyme Orientation at Planar Electrodes. Catalysts. 8
Chebaro Y, Derreumaux P.  2009.  The Conversion of Helix H2 to beta-Sheet Is Accelerated in the Monomer and Dimer of the Prion Protein upon T183A Mutation. J. Phys. Chem. B. 113:6942–6948.
Gill SJ, Robert CH, Coletta M, Di Cera E, Brunori M.  1986.  Cooperative free energies for nested allosteric models as applied to human hemoglobin. Biophys. J.. 50:747–752.
Pons S, Sallette J, Bourgeois JP, Taly A, Changeux J-P, Devillers-Thiéry A.  2004.  Critical role of the C-terminal segment in the maturation and export to the cell surface of the homopentameric $\alpha$7–5HT3A receptor. Eur. J. Neurosci.. 20:2022–2030.
Katava M, Stirnemann G, Zanatta M, Capaccioli S, Pachetti M, Ngai KL, Sterpone F, Paciaroni A.  2017.  Critical structural fluctuations of proteins upon thermal unfolding challenge the Lindemann criterion. Proc Natl Acad Sci U S A. 114:9361-9366.
D
Taly A, Colas C., Malliavin T., Blondel A., Nilges M., Corringer P.J, Joseph D..  2011.  Discrimination of agonists versus antagonists of nicotinic ligands based on docking onto AChBP structures. J. Mol. Graph. Model.. 30:100–109.
Taly A, Colas C., Malliavin T., Blondel A., Nilges M., Corringer P.J, Joseph D..  2011.  Discrimination of agonists versus antagonists of nicotinic ligands based on docking onto AChBP structures. J. Mol. Graph. Model.. 30:100–109.
Konstantakaki M., Changeux J-P, Taly A.  2007.  Docking of alpha-cobratoxin suggests a basal conformation of the nicotinic receptor. Biochem. Biophys. Res. Commun.. 359:413–418.
Spalvieri D, Mauviel A-M, Lambert M, Férey N, Sacquin-Mora S, Chavent M, Baaden M.  2022.  Design – a new way to look at old molecules. Journal of Integrative Bioinformatics. 19:20220020.
Colloc'h N., Sacquin-Mora S, Avella G., Dhaussy A.C, Prange T., Vallone B., Girard E..  2017.  Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography. Sci Rep. 7:1858.
Hénin J, Tajkhorshid E, Schulten K, Chipot C.  2008.  Diffusion of glycerol through Escherichia coli aquaglyceroporin GlpF. Biophys. J.. 94:832–839.
Nguyen PHoang, Sterpone F, Pouplana R, Derreumaux P, Campanera JM.  2016.  Dimerization Mechanism of Alzheimer A beta(40) Peptides: The High Content of Intrapeptide-Stabilized Conformations in A2V and A2T Heterozygous Dimers Retards Amyloid Fibril Formation. J. Phys. Chem. B. 120:12111–12126.
Cote S, Laghaei R, Derreumaux P, Mousseau N.  2012.  Distinct Dimerization for Various Alloforms of the Amyloid-Beta Protein: A beta(1-40), A beta(1-42), and A beta(1-40)(D23N). J. Phys. Chem. B. 116:4043–4055.
Cote S, Derreumaux P, Mousseau N.  2011.  Distinct Morphologies for Amyloid Beta Protein Monomer: A beta(1-40), A beta(1-42), and A beta(1-40)(D23N). J. Chem. Theory Comput.. 7:2584–2592.
Cailliez F, Stirnemann G, Boutin A, Demachy I, Fuchs AH.  2008.  Does water condense in hydrophobic cavities? A molecular simulation study of hydration in heterogeneous nanopores J. Phys. Chem. C. 112:10435–10445.
Sterpone F, Ceccarelli M, Marchi M.  2001.  Dynamics of hydration in hen egg white lysozyme. J. Mol. Biol.. 311:409–19.
Delalande O, Molza A-E, Morais RDos Santos, Chéron A, Pollet É, Raguenes-Nicol C, Tascon C, Giudice E, Guilbaud M, Nicolas A et al..  2018.  Dystrophin's central domain forms a complex filament that becomes disorganized by in-frame deletions.. J Biol Chem. 293(18):6637-6646.
Delalande O, Molza A-E, Morais RDos Santos, Chéron A, Pollet É, Raguenes-Nicol C, Tascon C, Giudice E, Guilbaud M, Nicolas A et al..  2018.  Dystrophin's central domain forms a complex filament that becomes disorganized by in-frame deletions.. J Biol Chem. 293(18):6637-6646.
E
Laurent B, Chavent M, Cragnolini T, Dahl ACaroline E, Pasquali S, Derreumaux P, Sansom MSP, Baaden M.  2015.  Epock: rapid analysis of protein pocket dynamics. Bioinformatics. 31:1478–1480.
Laurent B, Chavent M, Cragnolini T, Dahl ACaroline E, Pasquali S, Derreumaux P, Sansom MSP, Baaden M.  2015.  Epock: rapid analysis of protein pocket dynamics. Bioinformatics. 31:1478–1480.
Catoire L.J, Damian M., Baaden M, Guittet E., Banères J.-L..  2011.  Electrostatically–driven fast association and perdeuteration allow transferred cross–relaxation detection for G protein–coupled receptor ligands with equilibrium dissociation constants in the high–to–low nanomolar range. J Biomolecular Nmr. 50:191–5.
Dong X, Chen W, Mousseau N, Derreumaux P.  2008.  Energy landscapes of the monomer and dimer of the Alzheimer's peptide A beta(1-28). J. Chem. Phys.. 128:125108.
Botan V, Backus EHG, Pfister R, Moretto A, Crisma M, Toniolo C, Nguyen PHoang, Stock G, Hamm P.  2007.  Energy transport in peptide helices. Proc. Natl. Acad. Sci. U.s.a.. 104:12749–12754.
Backus EHG, Nguyen PHoang, Botan V, Pfister R, Moretto A, Crisma M, Toniolo C, Stock G, Hamm P.  2008.  Energy transport in peptide helices: A comparison between high- and low-energy excitations. J. Phys. Chem. B. 112:9091–9099.

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