Publications

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2004
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.
2003
Santini S., Wei G., Mousseau N., Derreumaux P.  2003.  Exploring the folding pathways of proteins through energy landscape sampling: Application to Alzheimer's beta-amyloid peptide. Internet Electron. J. Mol. Des.. 2:564–577.
Sterpone F, Ceccarelli M., Marchi M..  2003.  Linear response and electron transfer in complex biomolecules systems and Reaction Center Protein. J. Phys. Chem. B. 107:11208–11215.
Baaden M, Meier C, Sansom MSP.  2003.  A molecular dynamics investigation of mono and dimeric states of the outer membrane enzyme OMPLA. J. Mol. Biol.. 331:177–189.
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.
2002
Gerencser L, Taly A, Baciou L, Maroti P, Sebban P.  2002.  Cd2+ binding effect on bacterial reaction center mutants: The proton penetration involves interdependent pathways. BIOPHYSICAL JOURNAL. 82:518A-518A.
Mazur AK, Kamashev DE.  2002.  Comparative bending dynamics in DNA with and without regularly repeated adenine tracts. Phys. Rev. E. 66:011917.
Mazur AK.  2002.  DNA dynamics in a water drop without counterions. J. Am. Chem. Soc.. 124:14707–14715.
Gerencser L., Taly A, Baciou L., Maroti P., Sebban P..  2002.  Effect of binding of Cd2+ on bacterial reaction center mutants: proton-transfer uses interdependent pathways. Biochemistry. 41:9132–9138.
Wei GH, Mousseau N, Derreumaux P.  2002.  Exploring the energy landscape of proteins: A characterization of the activation-relaxation technique. J. Chem. Phys.. 117:11379–11387.
Mouawad L, Perahia D, Robert CH, Guilbert C.  2002.  New insights into the allosteric mechanism of human hemoglobin from molecular dynamics simulations. Biophys. J.. 82:3224–3245.
Schmid F, Phuong NH.  2002.  Spatial order in liquid crystals: Computer simulations of systems of ellipsoids. MORPHOLOGY OF CONDENSED MATTER: PHYSICS AND GEOMETRY OF SPATIALLY COMPLEX SYSTEMS. 600:172–186.
Marchi M, Sterpone F, Ceccarelli M.  2002.  Water rotational relaxation and diffusion in hydrated lysozyme. J. Am. Chem. Soc.. 124:6787–91.
2001
Sterpone F, Ceccarelli M, Marchi M.  2001.  Dynamics of hydration in hen egg white lysozyme. J. Mol. Biol.. 311:409–19.
Mayer C., Timsit Y.  2001.  Hydration and structural alterations of A-DNA. Implications for the accuracy of DNA replication. Cell. Mol. Biol. (noisy-le-grand). 47:815–822.

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