Publications

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Journal Article
Sterpone F., Melchionna S., Tuffery P, Pasquali S., Mousseau N., Cragnolini T., Chebaro Y, St-Pierre J.-F., Kalimeri M., Barducci A. et al..  2014.  The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems. Chem. Soc. Rev.. 43:4871–4893.
Sterpone F., Melchionna S., Tuffery P, Pasquali S., Mousseau N., Cragnolini T., Chebaro Y, St-Pierre J.-F., Kalimeri M., Barducci A. et al..  2014.  The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems. Chem. Soc. Rev.. 43:4871–4893.
Cox K, Bond PJ, Grottesi A, Baaden M, Sansom MSP.  2008.  Outer membrane proteins: comparing X-ray and NMR structures by MD simulations in lipid bilayers. European Biophysics Journal with Biophysics Letters. 37:131–141.
Hénin J, Chipot C.  2004.  Overcoming free energy barriers using unconstrained molecular dynamics simulations. J. Chem. Phys.. 121:2904–2914.
Cragnolini T., Doutreligne S., Baaden M, Derreumaux P., Pasquali S..  2015.  Predicting and exploring complex nucleic acids architectures through a coarse-grained model. J. Biomol. Struct. Dyn.. 33 Suppl 1:30–31.
Brandner A, De Vecchis D, Baaden M, Cohen MM, Taly A.  2019.  Physics-based oligomeric models of the yeast mitofusin Fzo1 at the molecular scale in the context of membrane docking. Mitochondrion. 49:234–244.
Cragnolini T., Doutreligne S., Baaden M, Derreumaux P, Pasquali S..  2015.  Predicting and exploring complex nucleic acids architectures through a coarse-grained model. Journal of Biomolecular Structure & Dynamics. 33:30–31.
Hénin J, Maigret B., Tarek M, Escrieut C., Fourmy D., Chipot C.  2006.  Probing a model of a GPCR/ligand complex in an explicit membrane environment: The human cholecystokinin-1 receptor. Biophys. J.. 90:1232–1240.
Bocquet N., L. de Carvalho P, Cartaud J., Neyton J., Le Poupon C., Taly A, Grutter T., Changeux J-P, Corringer P.J.  2007.  A prokaryotic proton-gated ion channel from the nicotinic acetylcholine receptor family. Nature. 445:116–119.
Bocquet N., L. de Carvalho P, Cartaud J., Neyton J., Le Poupon C., Taly A, Grutter T., Changeux J-P, Corringer P.J.  2007.  A prokaryotic proton-gated ion channel from the nicotinic acetylcholine receptor family. Nature. 445:116–119.
Bocquet N., L. de Carvalho P, Cartaud J., Neyton J., Le Poupon C., Taly A, Grutter T., Changeux J-P, Corringer P.J.  2007.  A prokaryotic proton-gated ion channel from the nicotinic acetylcholine receptor family. Nature. 445:116–119.
Lopes A, Sacquin-Mora S, Dimitrova V, Laine E, Ponty Y, Carbone A.  2013.  Protein-protein interactions in a crowded environment: an analysis via cross-docking simulations and evolutionary information. Plos Comput. Biol.. 9:e1003369.
Isabelle V, Prévost C, Spotheim-Maurizot M, Sabattier R, Charlier M.  1995.  Radiation-induced damages in single- and double-stranded DNA. Int. J. Radiat. Biol.. 67:169–76.
Chakravarty D, Guharoy M, Robert CH, Chakrabarti P, Janin J.  2013.  Reassessing buried surface areas in protein-protein complexes.. Protein Sci.. 22:1453–57.
Chakravarty D, Guharoy M, Robert CH, Chakrabarti P, Janin J.  2013.  Reassessing buried surface areas in protein-protein complexes.. Protein Sci.. 22:1453–57.
Chebaro Y, Dong X, Laghaei R, Derreumaux P, Mousseau N.  2009.  Replica exchange molecular dynamics simulations of coarse-grained proteins in implicit solvent.. J. Phys. Chem. B. 113:267–274.
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.
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
Cote S, Laghaei R, Derreumaux P, Mousseau N.  2011.  Simulation of the Oligomerization Pathway for Different Alloforms of the Amyloid Beta Protein Related to Alzheimer's Disease. Biophys. J.. 100:401.
Bornet O., Prévost C, Vovelle F., Chassignol M., Thuong N.T, Lancelot G..  1995.  Solution structure of oligonucleotides covalently linked to a psoralen derivative.. Nucleic Acids Res.. 23:788–795.
Chiche L, Heitz A, Gelly JC, Gracy J, Chau PTT, Ha PT, Hernandez JF, Le-Nguyen D.  2004.  Squash inhibitors: From structural motifs to macrocyclic knottins. Current Protein \& Peptide Science. 5:341–349.
Chiche L, Heitz A, Gelly JC, Gracy J, Chau PTT, Ha PT, Hernandez JF, Le-Nguyen D.  2004.  Squash inhibitors: From structural motifs to macrocyclic knottins. Current Protein \& Peptide Science. 5:341–349.
Chakraborty D, Taly A, Sterpone F.  2015.  Stay Wet, Stay Stable? How Internal Water Helps the Stability of Thermophilic Proteins The Journal of Physical Chemistry B. 119:12760–12770.
Lev B, Murail S, Poitevin F, Cromer BA, Baaden M, Delarue M, Allen TW.  2017.  String method solution of the gating pathways for a pentameric ligand-gated ion channel.. Proc Natl Acad Sci U S A. 114(21):E4158-E4167.
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.

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