Publications

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Boyer B., Laurent B., Robert C.H, Prevost C..  2021.  Modeling Perturbations in Protein Filaments at the Micro and Meso Scale Using NAMD and PTools/Heligeom. Bio-protocol. 11:e4097.
Petuhov M.G, Mazur AK.  1992.  Modeling of the possible binding modes of substrates in the active site of Taka-Amylase A. Mol. Biol.. 26:292–299.
Cazals F, Dreyfus T, Robert CH.  2013.  Modeling macromolecular complexes: a journey across scales. Modeling in Computational Biology and Biomedicine: A Multidisciplinary Endeavor.
Mazur AK.  2009.  Modeling DNA dynamics under steady deforming forces and torques. J. Chem. Theory Comput.. 5:2149–2157.
Laurent B., Murail S., Da Silva F., Corringer P.-J., Baaden M.  2012.  Modeling complex biological systems: From solution chemistry to membranes and channels. Pure Appl. Chem.. ASAP
Mazur AK, Petukhov M.G, Elyakova L.A.  1988.  Model of spatial random movement of depolymerase when interacting with the substrate. Biophysics. 23:417–421.
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.
Laurin Y, Eyer J, Robert CH, Prévost C, Sacquin-Mora S.  2017.  Mobility and core-protein binding patterns of disordered C-terminal tails in β-tubulin isotypes.. Biochemistry. 56(12):1746–1756.
Darre L., Tek A., Baaden M, Pantano S..  2012.  Mixing atomistic and coarse grain solvation models for MD simulations: let WT4 handle the bulk. Jctc.
Maes A, Martinez X, Druart K, Laurent B, Guégan S, Marchand CH, Lemaire SD, Baaden M.  2018.  MinOmics, an Integrative and Immersive Tool for Multi-Omics Analysis.. J Integr Bioinform. 15(2)
Neri M, Baaden M, Carnevale V, Anselmi C, Maritan A, Carloni P.  2008.  Microseconds dynamics simulations of the outer-membrane protease T. Biophys. J.. 94:71–78.
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.
Chavent M, Levy B, Maigret B.  2008.  MetaMol: High quality visualization of Molecular Skin Surface. J. Mol. Graphics Modell.. 27:209–213.
Maiocchi P., Derreumaux P, Sterpone F., Melchionna S..  2019.  Mesoscale biosimulations within a unified framework: from proteins to plasmids. Molecular Simulation. :1-12.
De Vecchis D, Cavellini L, Baaden M, Hénin J, Cohen MM, Taly A.  2017.  A membrane-inserted structural model of the yeast mitofusin Fzo1. Sci Rep. 7(1):10217.
Law RJ, Capener C, Baaden M, Bond PJ, Campbell J, Patargias G, Arinaminpathy Y, Sansom MSP.  2005.  Membrane protein structure quality in molecular dynamics simulation. Journal of Molecular Graphics \& Modelling. 24:157–165.
Cournia Z, Allen TW, Andricioaei I, Antonny B, Baum D, Brannigan G, Buchete N-V, Deckman JT, Delemotte L, Del Val C et al..  2015.  Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory.. J. Membr. Biol.. 248
Abdollahi N, Albani A, Anthony E, Baud A, Cardon M, Clerc R, Czernecki D, Conte R, David L, Delaune A et al..  2018.  Meet-U: Educating through research immersion. PLOS Computational Biology. 14:1-10.
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.
Wu X, Hénin J, Baciou L, Baaden M, Cailliez F, de la Lande A.  2021.  Mechanistic Insights on Heme-to-Heme Transmembrane Electron Transfer Within NADPH Oxydases From Atomistic Simulations.. Front Chem. 9:650651.
Stirnemann G, Wernersson E, Jungwirth P, Laage D.  2013.  Mechanisms of acceleration and retardation of water dynamics by ions. J. Am. Chem. Soc.. 135:11824–11831.
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.
Bertucat G, Lavery R, Prévost 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.
Stirnemann G, Sterpone F.  2017.  Mechanics of Protein Adaptation to High Temperatures. J Phys Chem Lett. 8:5884-5890.
Sacquin-Mora S.  2018.  Mechanical variations in proteins with large-scale motions highlight the formation of structural locks. Journal of Structural Biology.

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