Publications

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Author Title [ Type(Asc)] Year
Journal Article
Alvarez J, Irrmann O, Djaouti D, Taly A, Rampnoux O, Sauvé L.  2019.  Design games and game design: Relations between design, codesign and serious games in adult education. From UXD to LivXD: Living eXperience Design. :229–253.
Spalvieri D, Mauviel A-M, Lambert M, Ferey N, Sacquin-Mora S, Chavent M, Baaden M.  2022.  Design – a new way to look at old molecules. Journal of Integrative Bioinformatics. 19:20220020.
Mazur AK, Dorofeyev VE, Abagyan RA.  1991.  Derivation and testing of explicit equations of motion for polymers described by internal coordinates. J. Comput. Phys.. 92:261–272.
Tuffery P, Derreumaux P.  2005.  Dependency between consecutive local conformations helps assemble protein structures from secondary structures using Go potential and greedy algorithm. Proteins: Struct., Funct., Bioinf.. 61:732–740.
Baaden M, Granger P, Strich A.  2000.  Dependence of NMR isotropic shift averages and nuclear shielding tensors on the internal rotation of the functional group X about the C-X bond in seven simple vinylic derivatives H2C=CH-X. Mol. Phys.. 98:329–342.
Bestaoui-Berrekhchi-Berrahma N, Derreumaux P, Sekkal-Rahal M, Springborg M, Sayede A, Yousfi N, Kadoun A-E-D.  2013.  Density functional conformational study of 2-O-sulfated 3,6 anhydro-alpha-D-galactose and of neo-kappa- and iota-carrabiose molecules in gas phase and water. J. Mol. Model.. 19:893–904.
Thevenet P., Shen Y., Maupetit J., Guyon F., Padilla A., Derreumaux P., Tuffery P.  2012.  Delivering the native structures of peptides from computer simulations and predicted NMR proton chemical shifts. J. Pept. Sci.. 18:S38.
Prévost C, Takahashi M., Lavery R.  2009.  Deforming DNA: from physics to biology. Chemphyschem. 10:1399–404.
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.
Abi-Ghanem J., Heddi B., Foloppe N., Hartmann B..  2010.  DNA structures from phosphate chemical shifts. Nucleic Acids Res.. 38:e18.
Timsit Y.  1999.  DNA structure and polymerase fidelity. J. Mol. Biol.. 293:835–853.
Timsit Y, Moras D..  1994.  DNA self-fitting: the double helix directs the geometry of its supramolecular assembly. Embo J.. 13:2737–2746.
Sikorav J.L., Duplantier B., Jannink G., Timsit Y.  1998.  DNA crossovers and type II DNA topoisomerases: A thermodynamical study. J. Mol. Biol.. 284:1279–1287.
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.
Tung NThanh, Derreumaux P, Vu VV, Nam PCam, Ngo STung.  2019.  C-Terminal Plays as the Possible Nucleation of the Self-Aggregation of the S-Shape Aβ Tetramer in Solution: Intensive MD Study.. ACS Omega. 4(6):11066-11073.
Arluison V, Folichon M, Marco S, Derreumaux P, Pellegrini O, Seguin J, Hajnsdorf E, Regnier P.  2004.  The C-terminal domain of Escherichia coli Hfq increases the stability of the hexamer. Eur. J. Biochem.. 271:1258–1265.
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.
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.
Wang M., Baaden M, Wang J., Liang Z..  2014.  A cooperative mechanism of clotrimazoles in P450 revealed by the dissociation picture of clotrimazole from P450. J. Chem. Inf. Model.. 54:1218–1225.
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.
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.
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
Altis A, Otten M, Nguyen PH, Hegger R, Stock G.  2008.  Construction of the free energy landscape of biomolecules via dihedral angle principal component analysis. J. Chem. Phys.. 128
Puyo-Fourtine J, Juillé M, Hénin J, Clavaguéra C, Duboué-Dijon E.  2022.  Consistent Picture of Phosphate–Divalent Cation Binding from Models with Implicit and Explicit Electronic Polarization. J. Phys. Chem. B. 126(22):4022-4034.
Atmane N, Dairou J, Flatters D, Martins M, Pluvinage B, Derreumaux P, Dupret J-M, Rodrigues-Lima F.  2007.  The conserved glycine/alanine residue of the active-site loop containing the putative acetylCoA-binding motif is essential for the overall structural integrity of Mesorhizobium loti arylamine N-acetyltransferase 1. Biochem. Biophys. Res. Commun.. 361:256–262.

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