Publications

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Kamashev D, Oberto J, Serebryakova M, Gorbachev A, Zhukova Y, Levitsk, ii S, Mazur AK, Govorun V.  2011.  Mycoplasma gallisepticum produces a histone-like protein that recognizes base mismatches in DNA. Biochemistry. 50:8692–8702.
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
Sterpone F, Doutreligne S, Tran TThuy, Melchionna S, Baaden M, Nguyen PHoang, Derreumaux P.  2017.  Multi-scale simulations of biological systems using the OPEP coarse-grained model.. Biochem Biophys Res Commun.
Oteri F, Baaden M, Lojou E, Sacquin-Mora S.  2014.  Multiscale Simulations Give Insight into the Hydrogen In and Out Pathways of [NiFe]-Hydrogenases from Aquifex aeolicus and Desulfovibrio fructosovorans. J. Phys. Chem. B. 118:13800–13811.
Chiricotto M, Sterpone F, Derreumaux P, Melchionna S.  2016.  Multiscale simulation of molecular processes in cellular environments. Philosophical Transactions of the Royal Society A-mathematical Physical and Engineering Sciences. 374
Chávez-García C, Hénin J, Karttunen M.  2022.  Multiscale Computational Study of the Conformation of the Full-Length Intrinsically Disordered Protein MeCP2.. J Chem Inf Model. 62(4):958-970.
Nasica-Labouze J, Meli M, Derreumaux P, Colombo G, Mousseau N.  2011.  A Multiscale Approach to Characterize the Early Aggregation Steps of the Amyloid-Forming Peptide GNNQQNY from the Yeast Prion Sup-35. Plos Comput. Biol.. 7:e1002051.
Chiricotto M, Melchionna S, Derreumaux P, Sterpone F.  2019.  Multiscale Aggregation of the Amyloid Aβ16–22 Peptide: From Disordered Coagulation and Lateral Branching to Amorphous Prefibrils. The Journal of Physical Chemistry Letters. 10:1594-1599.
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.
Brannigan G, LeBard DN, Hénin J, Eckenhoff RG, Klein ML.  2010.  Multiple binding sites for the general anesthetic isoflurane identified in the nicotinic acetylcholine receptor transmembrane domain.. Proc. Natl. Acad. Sci. U.s.a.. 107:14122–14127.
Mazur AK, Nakatani H..  1993.  Multiple attack in the porcine pancreatic alpha-amylase hydrolysis of amylose and amylopectine. Arch. Biochem. Biophys.. 306:29–38.
Bezukladnikov P.V, Elyakova L.A, Mazur AK.  1992.  Multiple attack in the mechanism of endoglucanase action. Bioorg. Chem.. 18:1141–1163.
Cragnolini T, Chakraborty D, Sponer J, Derreumaux P, Pasquali S, Wales DJ.  2017.  Multifunctional energy landscape for a DNA G-quadruplex: An evolved molecular switch.. J Chem Phys. 147(15):152715.
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.
Jiang R, Taly A, Grutter T.  2013.  Moving through the gate in ATP-activated P2X receptors. Trends Biochem. Sci.. 38:20–29.
Prévost C, Sacquin-Mora S.  2021.  Moving pictures: Reassessing docking experiments with a dynamic view of protein interfaces.. Proteins.
Sacquin-Mora S.  2014.  Motions and mechanics: investigating conformational transitions in multi-domain proteins with coarse-grain simulations. Mol. Simul.. 40:229–236.
Mazur AK.  1984.  Most probable distribution at enzyme depolymerization of polysaccharides. Biopolymers. 23:859–876.
Nguyen PHoang, Li MSuan, Stock G, Straub JE, Thirumalai D..  2007.  Monomer adds to preformed structured oligomers of A beta-peptides by a two-stage dock-lock mechanism. Proc. Natl. Acad. Sci. U.s.a.. 104:111–116.
Alharbi N, Alharbi M, Martinez X, Krone M, Rose AS, Baaden M, Laramee RS, Chavent M.  2017.  Molecular Visualization of Computational Biology Data: A Survey of Surveys. EuroVis 2017 - Short Papers.
Tarus B, Nguyen PHoang, Berthoumieu O, Faller P, Doig AJ, Derreumaux P.  2015.  Molecular structure of the NQTrp inhibitor with the Alzheimer A beta 1-28 monomer. Eur. J. Med. Chem.. 91:43–50.
De Vecchis D, Brandner A, Baaden M, Cohen MM, Taly A.  2019.  A molecular perspective on mitochondrial membrane fusion: from the key players to oligomerization and tethering of mitofusin. The Journal of membrane biology. 252:293–306.
Vovelle F, Prévost C, Durand M, Maurizot JC.  1996.  Molecular modelling study of the netropsin complexation with a nucleic acid triple helix. J. Biomol. Struct. Dyn.. 14:293–302.
Taly A, Nitti F, Baaden M, Pasquali S.  2019.  Molecular modelling as the spark for active learning approaches for interdisciplinary biology teaching. Interface focus. 9:20180065.

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