Publications

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Gill SJ, Di Cera E, Doyle ML, Bishop GA, Robert CH.  1987.  Oxygen binding constants for human hemoglobin tetramers. Biochemistry. 26:3995–4002.
Hénin J., Chipot C.  2004.  Overcoming free energy barriers using unconstrained molecular dynamics simulations. J. Chem. Phys.. 121:2904–2914.
Cox K, Bond PJ, Grottesi A, Baaden M, Sansom MSP.  2008.  Outer membrane proteins: comparing X-ray and NMR structures by MD simulations in lipid bilayers. European Biophysics Journal with Biophysics Letters. 37:131–141.
Mazur AK.  2013.  On the origin of thermal untwisting of DNA. J. Phys. Chem. B. 117:1857–1861.
Xiao S, Figge F, Stirnemann G, Laage D, McGuire JA.  2016.  Orientational Dynamics of Water at an Extended Hydrophobic Interface. J Am Chem Soc. 138:5551-60.
Timsit Y, Allemand F, C C, Springer M.  2008.  Order-disorder transitions in ribosome assembly. Ribosomal proteins,.
Lemoine D, Habermacher C, Martz A, Méry P-F\ccois, Bouquier N, Diverchy F, Taly A, Rassendren F\ccois, Specht A, Grutter T.  2014.  Optogating a powerful approach to control an ion-channel gate. PURINERGIC SIGNALLING. 10:762–762.
Miné-Hattab J, Fleury G, Prévost C, Dutreix M, Viovy J-L.  2011.  Optimizing the design of oligonucleotides for homology directed gene targeting. Plos One. 6:e14795.
Dorofeyev VE, Mazur AK.  1993.  Optimization of numerical algorithms for internal coordinate molecular dynamics. J. Comput. Phys.. 107:359–366.
Colas C., Nguyen P.H., Gelly J-C., Derreumaux P..  2008.  OPERA: An OPtimized coarsed-grained Energy model for RnA. Publication Series of the John von Neumann Institute for Computing NIC Series. 40:185–187.
Sterpone F., Melchionna S., Tuffery P, Pasquali S., Mousseau N., Cragnolini T., Chebaro Y, St-Pierre J.-F., Kalimeri M., Barducci A. et al..  2014.  The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems. Chem. Soc. Rev.. 43:4871–4893.
Baaden M, Sansom MSP.  2004.  OmpT: Molecular dynamics simulations of an outer membrane enzyme. Biophys. J.. 87:2942–2953.
Mazur AK, Nazarova N.I, Elyakova L.A.  1985.  Oligomer distribution of depolymerase digests: Comparison of theory and experiments. Febs Lett.. 192:43–46.
Hajjar E, Perahia D, Débat H, Nespoulous C, Robert CH.  2006.  Odorant Binding and Conformational Dynamics in the Odorant-binding Protein. J. Biol. Chem.. 281:29929–29937.
Mine-Hattab J., Fleury G., Prévost C., Dutreix M., Viovy J.-L..  2011.  Optimizing the design of oligonucleotides for homology directed gene targeting.. Plos One. 6:e14795.
Lemoine D., Habermacher C., Martz A., Mery P.F, Bouquier N., Diverchy F., Taly A, Rassendren F., Specht A., Grutter T..  2013.  Optical control of an ion channel gate. Proc. Natl. Acad. Sci. U.s.a.. 110:20813–20818.
Taly A.  2007.  Opened by a twist: a gating mechanism for the nicotinic acetylcholine receptor. Eur. Biophys. J.. 36:911–918.
Nury H., Poitevin F., Van Renterghem C., Changeux J.P, Corringer P.J, Delarue M., Baaden M..  2010.  One-microsecond molecular dynamics simulation of channel gating in a nicotinic receptor homologue. Proc. Natl. Acad. Sci. U.s.a.. 107:6275–6280.
Loriot S., Sachdeva S., Bastard K., Prévost C., Cazals F..  2011.  On the characterization and selection of diverse conformational ensembles with applications to flexible docking.. Ieee/acm Trans. Comput. Biol. Bioinform.. 8:487–498.

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