Publications

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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.
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.
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.
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.
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.
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.
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.
Bastard K., Prévost C.  2007.  Recent Research Adv. in Structural BioInformatics. :249–274.
Bastard K., Prévost C.  2007.  Flexible macromolecular docking: An overview of recent progress. Recent Research Adv. in Structural BioInformatics:249–274.
Bastard K, Prévost C, Zacharias M.  2006.  Accounting for loop flexibility during protein-protein docking. Proteins. 62:956–969.
Bastard K, Saladin A, Prévost C.  2011.  Accounting for large amplitude protein deformation during in silico macromolecular docking. Int. J. Mol. Sci.. 12:1316–33.
Bastard K, Thureau A, Lavery R, Prévost C.  2003.  Docking macromolecules with flexible segments. J. Comput. Chem.. 24:1910–20.
Bastard J, Khac DDo, Fetizon M, Prévost C, Beloeil J-C.  1991.  Mechanism of the rearrangement of the bicyclo [4.2. 0] octan system to the bicyclo [3.2. 1] octan system. Tetrahedron. 47:229–238.
Barducci A, Bonomi M, Derreumaux P.  2011.  Assessing the Quality of the OPEP Coarse-Grained Force Field. J. Chem. Theory Comput.. 7:1928–1934.
Bardiaux B., Malliavin T.E, Nilges M., Mazur AK.  2006.  Comparison of different torsion angle approaches for NMR structure determination. J. Biol. Nmr. 34:153–166.
Barboiu M, Kumar M, Baaden M, Gale PA, Hinds BJ.  2019.  Highlights from the Faraday Discussion on Artificial Water Channels, Glasgow, UK.. Chem Commun (Camb). 55(27):3853-3858.
Backus EHG, Nguyen PHoang, Botan V, Pfister R, Moretto A, Crisma M, Toniolo C, Stock G, Hamm P.  2008.  Energy transport in peptide helices: A comparison between high- and low-energy excitations. J. Phys. Chem. B. 112:9091–9099.
Backus EHG, Nguyen PHoang, Botan V, Moretto A, Crisma M, Toniolo C, Zerbe O, Stock G, Hamm P.  2008.  Structural Flexibility of a Helical Peptide Regulates Vibrational Energy Transport Properties. J. Phys. Chem. B. 112:15487–15492.
Baaden M, Sansom MSP.  2004.  OmpT: Molecular dynamics simulations of an outer membrane enzyme. Biophys. J.. 87:2942–2953.
Baaden M, Schurhammer R, Wipff G.  2002.  Molecular dynamics study of the uranyl extraction by tri-n-butylphosphate (TBP): Demixing of water/''oil''/TBP solutions with a comparison of supercritical CO2 and chloroform. J. Phys. Chem. B. 106:434–441.
Baaden M, Berny F., Muzet N., Troxler L., Wipff G..  2000.  Interfacial features of assisted liquid-liquid extraction of uranyl and cesium salts: a molecular dynamics investigation. ACS Symposium Series 757. :71–85.
Baaden M, Marrink S.J.  2013.  Coarse-grain modelling of protein-protein interactions. Curr. Opin. Struct. Biol.. 23:878–886.
Baaden M, Berny F., Muzet N., Schurhammer R., Wipff G..  2000.  Separation of radioactive cations by liquid-liquid extraction: computer simulations of water / oil solutions of salts and ionophores. Proceedings of the Euradwaste 1999 conference. :390–393.

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