Publications

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2003
Wei GH, Derreumaux P, Mousseau N.  2003.  Sampling the complex energy landscape of a simple beta-hairpin. J. Chem. Phys.. 119:6403–6406.
Baaden M, Berny F, Madic C, Schurhammer R, Wipff G.  2003.  Theoretical studies on lanthanide cation extraction by picolinamides: Ligand-cation interactions and interfacial behavior. Solvent Extr. Ion Exch.. 21:199–220.
Mazur AK.  2003.  Titration \em in silico of reversible B$łeftrightarrow$A transitions in DNA. J. Am. Chem. Soc.. 125:7849–7859.
2004
Floquet N, Pasco S, Ramont L, Derreumaux P, Laronze JY, Nuzillard JM, Maquart FX, Alix AJP, Monboisse JC.  2004.  The antitumor properties of the alpha 3(IV)-(185-203) peptide from the NC1 domain of type IV collagen (tumstatin) are conformation-dependent. J. Biol. Chem.. 279:2091–2100.
Floquet N, Pasco S, Ramont L, Derreumaux P, Laronze JY, Nuzillard JM, Maquart FX, Alix AJP, Monboisse JC.  2004.  The antitumor properties of the alpha 3(IV)-(185-203) peptide from the NC1 domain of type IV collagen (tumstatin) are conformation-dependent. J. Biol. Chem.. 279:2091–2100.
Wei GH, Mousseau N, Derreumaux P.  2004.  Complex folding pathways in a simple beta-hairpin. Proteins: Struct., Funct., Bioinf.. 56:464–474.
Smith JC, Cournia Z, Taly A, Tournier AL, Mihailescu D, G Ullmann M.  2004.  Conformational transitions in proteins and membranes. Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations. :485–502.
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.
Hérisson J., Gros P.-E., Férey N, Magneau O., Gherbi R..  2004.  DNA in Virtuo: Visualization and Exploration of 3D Genomic Structures. International Conference on Virtual Reality, Computer Graphics, Visualization and Interaction (Afrigraph 2005 - ACM-SIGRAPH sponsored).
Hérisson J., Gros P.-E., Férey N, Magneau O., Gherbi R..  2004.  DNA in Virtuo: Visualization and Virtual Manipulation of 3D Genomic Structures. International CODATA Conference, The Information Society: New Horizons for Science.
Derreumaux P, Wei GH, Santini S, Mousseau NN.  2004.  Early steps of amyloid-petide oligomerisation explored by simulations. Neurobiol. Aging. 25:S143.
Wei GH, Mousseau N, Derreumaux P.  2004.  Exploring the early steps of aggregation of amyloid-forming peptide KFFE. Journal of Physics-condensed Matter. 16:S5047-S5054.
Santini S, Mousseau N, Derreumaux P.  2004.  In silico assembly of Alzheimer's A beta(16-22) peptide into beta-sheets. J. Am. Chem. Soc.. 126:11509–11516.
Robert CH, Cherfils J, Mouawad L, Perahia D.  2004.  Integrating three views of Arf1 activation dynamics. J. Mol. Biol.. 337:969–983.
Kozhemyako VB, Rebrikov DV, Lukyanov SA, Bogdanova EA, Marin A, Mazur AK, Kovalchuk SN, Agafonova EV, Sova VV, Elyakova LA et al..  2004.  Molecular cloning of a mollusk glucanase. Comp. Biochem. Physiol.. 137:169–178.
Kozhemyako VB, Rebrikov DV, Lukyanov SA, Bogdanova EA, Marin A, Mazur AK, Kovalchuk SN, Agafonova EV, Sova VV, Elyakova LA et al..  2004.  Molecular cloning of a mollusk glucanase. Comp. Biochem. Physiol.. 137:169–178.
Sterpone F, Pierleoni C, Briganti G, Marchit M.  2004.  Molecular dynamics study of temperature dehydration of a C12E6 spherical micelle. Langmuir. 20:4311–4.
Abel S, Sterpone F, Bandyopadhyay S, Marchi M.  2004.  Molecular Modeling and Simulations of AOT−Water Reverse Micelles in Isooctane:  Structural and Dynamic Properties. J. Phys. Chem. B. 108:19458–19466.
Santini S, Wei GH, Mousseau N, Derreumaux P.  2004.  Pathway complexity of Alzheimer's beta-amyloid A beta(16-22) peptide assembly. Structure. 12:1245–1255.
Wei G.H, Mousseau N., Derreumaux P.  2004.  Sampling the self-assembly pathways of KFFE hexamers. Biophys. J.. 87:3648–3656.
Kamashev DE, Mazur AK.  2004.  Single-stranded breaks relax intrinsic curvature in DNA? Biochemistry. 43:8160–8168.
Sterpone F, Pierleoni C., Briganti G., Marchi M..  2004.  Temperature dehydration of C12E6 micelle. Langmuir. 20:4311–4314.
2005
Mazur AK.  2005.  Electrostatic polymer condensation and the A/B polymorphism in DNA: Sequence effects. J. Chem. Theory Comput.. 1:325–336.
Mu YG, Nguyen PHoang, Stock G.  2005.  Energy landscape of a small peptide revealed by dihedral angle principal component analysis. Proteins: Struct., Funct., Bioinf.. 58:45–52.
Mousseau N, Derreumaux P.  2005.  Exploring the early steps of amyloid peptide aggregation by computers. Acc. Chem. Res.. 38:885–891.

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