Publications

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Licsandru E., Kocsis I., Shen Y.X, Murail S., Legrand Y.M, van der Lee A., Tsai D., Baaden M, Kumar M., Barboiu M..  2016.  Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation. J. Am. Chem. Soc.. 138:5403–5409.
Timsit Y, Moras D..  1995.  Self-fitting and self-modifying properties of the B-DNA molecule. J. Mol. Biol.. 251:629–647.
Heddi B., Abi-Ghanem J., Lavigne M., Hartmann B..  2010.  Sequence-dependent DNA flexibility mediates DNase I cleavage. J. Mol. Biol.. 395:123–133.
Laurent B., Murail S., Shahsavar A., Sauguet L., Delarue M., Baaden M.  2016.  Sites of Anesthetic Inhibitory Action on a Cationic Ligand-Gated Ion Channel. Structure. 24a:595–605.
Sauguet L., Poitevin F., Murail S., Van Renterghem C., Moraga-Cid G., Malherbe L., Thompson A.W, Koehl P., Corringer P.J, Baaden M et al..  2013.  Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels. Embo J.. 32:728–741.
Berges R., Balzeau J., Takahashi M., Prévost 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.
Timsit Y, Duplantier B., Jannink G., Sikorav J.L..  1998.  Symmetry and chirality in topoisomerase II-DNA crossover recognition. J. Mol. Biol.. 284:1289–1299.
Mousseau N, Derreumaux P, Barkema GT, Malek R.  2001.  Sampling activated mechanisms in proteins with the activation-relaxation technique. Journal of Molecular Graphics \& Modelling. 19:78–86.
Yun M-R, Mousseau N., Derreumaux P..  2007.  Sampling small-scale and large-scale conformational changes in proteins and molecular complexes. J. Chem. Phys.. 126:105101.
Wei GH, Derreumaux P, Mousseau N.  2003.  Sampling the complex energy landscape of a simple beta-hairpin. J. Chem. Phys.. 119:6403–6406.
Wei G.H, Mousseau N., Derreumaux P.  2004.  Sampling the self-assembly pathways of KFFE hexamers. Biophys. J.. 87:3648–3656.
Phillips J, Hardy D, Maia J, Stone J, Ribeiro J, Bernardi R, Buch R, Fiorin G, Hénin J, Jiang W et al..  2020.  Scalable molecular dynamics on CPU and GPU architectures with NAMD. The Journal of Chemical Physics. 153
Mazur AK, Kuchinski A.V.  1992.  Schematic methods for probabilistic enzyme kinetics. J. Theor. Biol.. 155:387–407.
Martinez X, Baaden M.  2020.  Scruter les molécules en réalité virtuelle, pour quoi faire ? L'Actualité Chimique. (448):23–26.
Prévost C.  2008.  Searching for Homology by Filaments of RecA-like Proteins. Genome Dynamics & Stability. Recombination and Meiosis. Models, Means and Evolution:65–89.
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.
Wei G, Song W, Derreumaux P, Mousseau N.  2008.  Self-assembly of amyloid-forming peptides by molecular dynamics simulations. Front. Biosci.. 13:5681–5692.
Song W, Wei G, Mousseau N, Derreumaux P.  2008.  Self-assembly of the beta 2-microglobulin NHVTLSQ peptide using a coarse-grained protein model reveals beta-barrel species. J. Phys. Chem. B. 112:4410–4418.

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