Publications

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Batista PR, Pandey G, Bisch PM, Pascutti PG, Perahia D, Robert CH.  2011.  Free energy profiles along consensus normal modes provide insight into HIV-1 protease flap opening. J. Chem. Theor. Comput.. 7:2348–52.
Batista PR, Robert CH, Maréchal J-D, Ben Hamida–Reba\"ı M, Pascutti P, Bisch PM, Perahia DP.  2010.  Consensus Modes, a robust description of protein collective motions from multiple-minima normal mode analysis–application to the HIV-1 protease.. Phys. Chem. Chem. Phys.. 12:2850–2859.
Beaugrand M\"ıwenn, Arnold AA, Hénin J, Warschawski DE, Williamson PTF, Marcotte I.  2014.  Lipid concentration and molar ratio boundaries for the use of isotropic bicelles.. Langmuir. 30:6162–6170.
Beautrait A, Leroux V, Chavent M, Ghemtio L, Devignes M.-D, Smail-Tabbone M, Cai W, Shao X, Moreau G, Bladon P et al..  2008.  Multiple-step virtual screening using VSM-G: Overview and validation of fast geometrical matching enrichment. J. Mol. Model.. 14:393–401.
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.
Beedle AEM, Lezamiz A, Stirnemann G, Garcia-Manyes S.  2015.  The mechanochemistry of copper reports on the directionality of unfolding in model cupredoxin proteins.. Nature Comm.. 6:7894.
Beedle AEM, Mora M, Lynham S, Stirnemann G, Garcia-Manyes S.  2017.  Tailoring protein nanomechanics with chemical reactivity. Nat Commun. 8:15658.
Beedle AEM, Mora M, Davis CT, Snijders AP, Stirnemann G, Garcia-Manyes S.  2018.  Forcing the reversibility of a mechanochemical reaction. Nat Commun. 9:3155.
Bellissent-Funel M-C., Hassanali A., Havenith M., Henchman R., Pohl P., Sterpone F, van der Spoel D., Xu Y., Garcia A.E.  2016.  Water Determines the Structure and Dynamics of Proteins. Chem. Rev.. 116:7673–7697.
Ben Ammar A, Soltanzadeh P, Bauché S, Richard P, Goillot E, Herbst R, Gaudon K, Huzé C, Schaeffer L, Yamanashi Y et al..  2013.  A mutation causes MuSK reduced sensitivity to agrin and congenital myasthenia. Plos One. 8
Ben Hamida–Reba\"ı M, Robert CH.  2010.  A computational study of a recreated G protein-GEF reaction intermediate competent for nucleotide exchange: fate of the Mg ion. Plos One. 5:e9142.
Berges R., Balzeau J., Takahashi M., Prevost C., Eyer J..  2012.  Structure-function analysis of the NFL-TBS.40-63 peptide corresponding to the binding site of tubulin on the light neurofilament subunit. Plos One. 7:e49436.
Berkovich R., Hermans R.I, Popa I., Stirnemann G, Garcia-Manyes S., Berne B.J, Fernandez J.M.  2012.  Rate limit of protein elastic response is tether dependent. Proc. Natl. Acad. Sci. U.s.a.. 109:14416–14421.
Berkovich R, Fernandez VI, Stirnemann G, Valle-Orero J, Fernandez JM.  2018.  Segmentation and the Entropic Elasticity of Modular Proteins. J Phys Chem Lett. 9:4707-4713.
Berthoumieu O, Nguyen PH, del Castillo-Frias MP, Ferre S, Tarus B, Nasica-Labouze J, Noel S, Saurel O, Rampon C, Doig AJ et al..  2015.  Combined Experimental and Simulation Studies Suggest a Revised Mode of Action of the Anti-Alzheimer Disease Drug NQ-Trp. Chemistry-a European Journal. 21:12657–12666.
Bertucat G, Lavery R, Prévost C.  1999.  A molecular model for RecA-promoted strand exchange via parallel triple-stranded helices. Biophys. J.. 77:1562–76.
Bertucat G, Lavery R, Prevost C.  2000.  A mechanism for RecA-promoted sequence homology recognition and strand exchange between single-stranded DNA and duplex DNA, via triple-helical intermediates. J. Biomol. Struct. Dyn.. :147–153.
Bertucat G, Lavery R, Prévost C.  1998.  A model for parallel triple helix formation by RecA: single-single association with a homologous duplex via the minor groove. J. Biomol. Struct. Dyn.. 16:535–46.
Bestaoui-Berrekhchi-Berrahma N., Sekkal-Rahal M., Derreumaux P., Yousfi N..  2016.  MP2 and DFT studies of beta-D-neocarrabiose and beta-D-neocarrabiose monohydrate. Comput. Theor. Chem.. 1091:24–30.
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.
Beveridge DL, Swaminathan S, Ravishanker G, Withka J, Srinivasan J, Prévost C, Louise-May S, DiCapua FM, Bolton PH.  1991.  Methodological considerations on molecular dynamics simulations of DNA oligonucleotides. AIP Conference Proceedings.
Bezukladnikov P.V, Elyakova L.A, Mazur AK.  1992.  Multiple attack in the mechanism of endoglucanase action. Bioorg. Chem.. 18:1141–1163.
Bishop G.A, Parody-Morreale A., Robert C., Gill S.J and.  1987.  Gas-solution microcalorimeter for determining heat binding curves. Rev. Sci. Instr.. 58:632–638.
Bocahut A., Bernad S., Sebban P., Sacquin-Mora S.  2011.  Frontier residues lining globin internal cavities present specific mechanical properties. J. Am. Chem. Soc.. 133:8753–8761.
Bocahut A., Bernad S., Sebban P., Sacquin-Mora S.  2009.  Relating the Diffusion of Small Ligands in Human Neuroglobin to Its Structural and Mechanical Properties. J. Phys. Chem. B. 113:16257–16267.

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