Publications

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Zirah S, Kozin SA, Mazur AK, Blond A, Cheminant M, Segalas-Milazzo I, Debey P, Rebuffat S.  2006.  Structural changes of region 1-16 of the Alzheimer disease amyloid beta-peptide upon zinc binding and in vitro aging. J. Biol. Chem.. 281:2151–2161.
Brandner A, De Vecchis D, Baaden M, Cohen MM, Taly A.  2019.  Structural dataset from microsecond-long simulations of yeast mitofusin Fzo1 in the context of membrane docking.. Data Brief. 26:104460.
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, Casanova S, Chen C-L, Conner M, Freger V, Gong B, Góra A, Hinds B et al..  2018.  Structure and function of natural proteins for water transport: general discussion.. Faraday Discuss. 209:83-95.
Baaden M, Barboiu M, Bill RM, Casanova S, Chen C-L, Conner M, Freger V, Gong B, Góra A, Hinds B et al..  2018.  Structure and function of natural proteins for water transport: general discussion.. Faraday Discuss. 209:83-95.
Baaden M, Barboiu M, Bill RM, Casanova S, Chen C-L, Conner M, Freger V, Gong B, Góra A, Hinds B et al..  2018.  Structure and function of natural proteins for water transport: general discussion.. Faraday Discuss. 209:83-95.
Chebaro Y, Mousseau N, Derreumaux P.  2009.  Structures and Thermodynamics of Alzheimer's Amyloid-beta A beta(16-35) Monomer and Dimer by Replica Exchange Molecular Dynamics Simulations: Implication for Full-Length A beta Fibrillation. J. Phys. Chem. B. 113:7668–7675.
Chebaro Y, Jiang P, Zang T, Mu Y, Nguyen PHoang, Mousseau N, Derreumaux P.  2012.  Structures of A beta 17-42 Trimers in Isolation and with Five Small-Molecule Drugs Using a Hierarchical Computational Procedure. J. Phys. Chem. B. 116:8412–8422.
Peoc'h K, Levavasseur E, Delmont E, Laffont-Proust ADe Simone, Privat N, Chebaro Y, Bedoucha CChapuis Pi, Brandel J-P, Laquerriere A, Hauw J-LKemeny Jea et al..  2012.  Substitutions at residue 211 in the prion protein drive a switch between CJD and GSS syndrome, a new mechanism governing inherited neurodegenerative disorders. Hum. Mol. Genet.. 21:5417–5428.
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Cubellis M.V, Baaden M, Andreotti G..  2015.  Taming molecular flexibility to tackle rare diseases. Biochimie. 113:54–58.
Oteri F, Ciaccafava A, Poulpiquet A, Baaden M, Lojou E, Sacquin-Mora S.  2014.  The weak, fluctuating, dipole moment of membrane-bound hydrogenase from Aquifex aeolicus accounts for its adaptability to charged electrodes. Phys. Chem. Chem. Phys.. 16:11318–11322.
Jiang R., Taly A, Lemoine D., Martz A., Cunrath O., Grutter T..  2012.  Tightening of the ATP-binding sites induces the opening of P2X receptor channels. Embo J.. 31:2134–2143.
Chebaro Y, Derreumaux P.  2009.  Targeting the early steps of A beta 16-22 protofibril disassembly by N-methylated inhibitors: A numerical study. Proteins: Struct., Funct., Bioinf.. 75:442–452.
Nguyen PHoang, Campanera JM, Ngo STung, Loquet A, Derreumaux P.  2019.  Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. II. In Aqueous Solution.. J Phys Chem B. 123(31):6750-6756.
Nguyen PHoang, Campanera JM, Ngo STung, Loquet A, Derreumaux P.  2019.  Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. I. In a Bilayer Mimicking a Neuronal Membrane.. J Phys Chem B. 123(17):3643-3648.
Tai K, Baaden M, Murdock S, Wu B, Ng MHong, Johnston S, Boardman R, Fangohr H, Cox K, Essex JW et al..  2007.  Three hydrolases and a transferase: Comparative analysis of active-site dynamics via the BioSimGrid database. Journal of Molecular Graphics \& Modelling. 25:896–902.
Corringer P.J, Baaden M, Bocquet N., Delarue M., Dufresne V., Nury H., Prevost M., Van Renterghem C..  2010.  Atomic structure and dynamics of pentameric ligand-gated ion channels: new insight from bacterial homologues. J. Physiol. (lond.). 588:565–572.
Cazals F., Mueller C., Robert C., Roth A..  2013.  Towards Morse theory for point cloud data.. Inria Tech Reports.
O'Donnell T, Robert CH, Cazals F.  2022.  Tripeptide loop closure: A detailed study of reconstructions based on Ramachandran distributions. Proteins: Structure, Function, and Bioinformatics. 90:858-868.
Brunet YR, Hénin J, Celia H, Cascales E.  2014.  Type VI secretion and bacteriophage tail tubes share a common assembly pathway.. Embo Rep.. 15:315–21.
Brunet YR, Hénin J, Celia H, Cascales E.  2014.  Type VI secretion and bacteriophage tail tubes share a common assembly pathway.. Embo Rep.. 15:315–21.
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Costa D., Garrain P.A, Baaden M.  2013.  Understanding small biomolecule-biomaterial interactions: a review of fundamental theoretical and experimental approaches for biomolecule interactions with inorganic surfaces. J. Biomed. Mater. Res. A. 101:1210–1222.
Doutreligne S., Gageat C., Cragnolini T., Taly A, Pasquali S., Derreumaux P, Baaden M.  2015.  UnityMol: interactive and ludic visual manipulation of coarse-grained RNA and other biomolecules. Virtual and Augmented Reality for Molecular Science (VARMS@IEEEVR), 2015 IEEE 1st International Workshop on. :1–6.
Doutreligne S., Cragnolini T., Pasquali S., Derreumaux P, Baaden M.  2014.  UnityMol: Interactive scientific visualization for integrative biology. Large Data Analysis and Visualization (LDAV), 2014 IEEE 4th Symposium on. :109–110.
CHHIBA M, Derreumaux P, VERGOTEN G.  1994.  THE USE OF THE SPASIBA SPECTROSCOPIC POTENTIAL FOR REPRODUCING THE STRUCTURES AND VIBRATIONAL FREQUENCIES OF A SERIES OF ACIDS - ACETIC-ACID, PIVALIC ACID, SUCCINIC ACID, ADIPIC ACID AND L-GLUTAMIC ACID. J. Mol. Struct.. 317:171–184.

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