Publications

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Journal Article
Taly A, Corringer P.J, Guedin D., Lestage P., Changeux J-P.  2009.  Nicotinic receptors: allosteric transitions and therapeutic targets in the nervous system. Nat. Rev. Drug Discov.. 8:733–750.
Goncalves C., Ardourel M.Y, Decoville M., Breuzard G., Midoux P., Hartmann B., Pichon C..  2009.  An optimized extended DNA kappa B site that enhances plasmid DNA nuclear import and gene expression. J. Gene Med.. 11:401–411.
Taly A, Delarue M., Grutter T., Nilges M., Le Novere N., Corringer P.J, Changeux J-P.  2005.  Normal mode analysis suggests a quaternary twist model for the nicotinic receptor gating mechanism. Biophys. J.. 88:3954–3965.
Reddy T., Shorthouse D., Parton D.L, Jefferys E., Fowler P.W, Chavent M, Baaden M, Sansom M.S.  2015.  Nothing to sneeze at: a dynamic and integrative computational model of an influenza A virion. Structure. 23:584–597.
Sacquin-Mora S, Fuchs AH, Schoen M.  2003.  Nanoscopic liquid bridges exposed to a torsional strain. Physical Review E. 68:066103.
Mousseau N, Derreumaux P, Gilbert G.  2005.  Navigation and analysis of the energy landscape of small proteins using the activation-relaxation technique. Phys. Biol.. 2:S101-S107.
Decker H, Connelly PR, Robert CH, Gill SJ.  1988.  Nested allosteric interaction in tarantula hemocyanin revealed through the binding of oxygen and carbon monoxide. Biochemistry. 27:6901–6908.
Robert CH, Decker H, Richey B, Gill SJ, Wyman J.  1987.  Nesting: hierarchies of allosteric interactions. Proc. Natl. Acad. Sci. U.s.a.. 84:1891–1895.
Mazur AK, Abagyan R.A, Elyakov G.B.  1989.  A new approach to the modelling of the structure and dynamics of biomacromolecules and their complexes. Doklady. Biophysics. 304:456–460.
Fu H, Cai W, Hénin J, Roux B, Chipot C.  2017.  New Coarse Variables for the Accurate Determination of Standard Binding Free Energies. J Chem Theory Comput. 13(11):5173-5178.
Deliot N, Chavent M, Nourry C, Lecine P, Arnaud C, Hermant A, Maigret B, Borg J.-P..  2009.  New Insight into the interaction between erbin and smad3: a non-classical binding interface for the erbin PDZ domain. Biochem. Biophys. Res. Commun.. 378:360–365.
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.
Mazur AK.  1990.  A new method for analysing of kinetic graphs in enzymatic catalysis. Mol. Biol.. 24:209–213.
Mazur AK, Abagyan RA.  1989.  New methodology for computer-aided modelling of biomolecular structure and dynamics: 1. Non-cyclic structures. J. Biomol. Struct. Dyn.. 6:815–832.
Abagyan RA, Mazur AK.  1989.  New methodology for computer-aided modelling of biomolecular structure and dynamics: 2. Local deformations and cycles. J. Biomol. Struct. Dyn.. 6:833–845.
Derreumaux P, VERGOTEN G.  1995.  A NEW SPECTROSCOPIC MOLECULAR MECHANICS FORCE-FIELD - PARAMETERS FOR PROTEINS. J. Chem. Phys.. 102:8586–8605.
Changeux J-P, Taly A.  2008.  Nicotinic receptors, allosteric proteins and medicine. Trends Mol. Med.. 14:93–102.
Manh DDo Khac, Fetizon M, Prévost C, Roy P.  1991.  NMR and conformational studies of the cyclobutane ring involved in the bicyclo [4.2. 0] octane system of a tetracyclic diterpene structure. Magn. Reson. Chem.. 29:870–877.
Bedard-Hearn M., Sterpone F, Rossky P.J..  2010.  Non adiabatic simulations of exciton dissociation in poly-p-phenylenevinylene oligomers. J. Phys. Chem. A. 114:7661–7670.
Sterpone F, Bedard-Hearn MJ, Rossky PJ.  2009.  Nonadiabatic mixed quantum-classical dynamic simulation of pi-stacked oligophenylenevinylenes. J. Phys. Chem. A. 113:3427–30.
Kobus M, Gorbunov RD, Nguyen PHoang, Stock G.  2008.  Nonadiabatic vibrational dynamics and spectroscopy of peptides: A quantum-classical description. Chem. Phys.. 347:208–217.
Viet MHoang, Derreumaux P, Nguyen PHoang.  2016.  Nonequilibrium all-atom molecular dynamics simulation of the bubble cavitation and application to dissociate amyloid fibrils. J. Chem. Phys.. 145

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