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, 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.
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.
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.  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.
Bastard K., Prévost C.  2007.  Recent Research Adv. in Structural BioInformatics. :249–274.
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, Barboiu M, Bill RM, Chen C-L, Davis J, Di Vincenzo M, Freger V, Fröba M, Gale PA, Gong B et al..  2018.  Biomimetic water channels: general discussion.. Faraday Discuss. 209:205-229.
Baaden M, Burgard M, Wipff G.  2001.  TBP at the water-oil interface: The effect of TBP concentration and water acidity investigated by molecular dynamics simulations. J. Phys. Chem. B. 105:11131–11141.
Baaden M.  1999.  Molecular Modeling with the ChemOffice Ultra 4.5 program suite..
Baaden M, Berny F, Boehme C, Muzet N, Schurhammer R, Wipff G.  2000.  Interaction of trivalent lanthanide cations with phosphoryl derivatives, amide, anisole, pyridine and triazine ligands: a quantum mechanics study. J. Alloys Compd.. 303:104–111.
Baaden M.  2019.  Visualizing Biological Membrane Organization and Dynamics.. J Mol Biol. 431(10):1889-1919.

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