Publications

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Journal Article
Derreumaux P, VERGOTEN G.  1995.  A NEW SPECTROSCOPIC MOLECULAR MECHANICS FORCE-FIELD - PARAMETERS FOR PROTEINS. J. Chem. Phys.. 102:8586–8605.
Viet MHoang, Derreumaux P, Nguyen PHoang.  2016.  Nonequilibrium all-atom molecular dynamics simulation of the bubble cavitation and application to dissociate amyloid fibrils. J. Chem. Phys.. 145
LAGANT P, VERGOTEN G, Derreumaux P, DHENNIN R.  1990.  NORMAL-COORDINATE TREATMENT OF A NUCLEIC BASE PAIR MODEL IN ITS CRYSTALLINE STATE - 1-METHYLCYTOSINE-9-ETHYLGUANINE. J. Raman Spectrosc.. 21:215–226.
Prevost M., Sauguet L., Nury H., Van Renterghem C., Huon C., Poitevin F., Baaden M, Delarue M., Corringer P.-J..  2012.  A novel Locally Closed Conformation of a Bacterial Pentameric Proton-gated Ion Channel. Nature Structural & Molecular Biology.
Nury H., Poitevin F., Van Renterghem C., Changeux J.P, Corringer P.J, Delarue M., Baaden M.  2010.  One-microsecond molecular dynamics simulation of channel gating in a nicotinic receptor homologue. Proc. Natl. Acad. Sci. U.s.a.. 107:6275–6280.
Miné-Hattab J, Fleury G, Prévost C, Dutreix M, Viovy J-L.  2011.  Optimizing the design of oligonucleotides for homology directed gene targeting. Plos One. 6:e14795.
Kocsis I, Sorci M, Vanselous H, Murail S, Sanders SE, Licsandru E, Legrand Y-M, van der Lee A, Baaden M, Petersen PB et al..  2018.  Oriented chiral water wires in artificial transmembrane channels.. Sci Adv. 4(3):eaao5603.
Kocsis I, Sorci M, Vanselous H, Murail S, Sanders SE, Licsandru E, Legrand Y-M, van der Lee A, Baaden M, Petersen PB et al..  2018.  Oriented chiral water wires in artificial transmembrane channels.. Sci Adv. 4(3):eaao5603.
Sinha D.K, Neveu P., Gagey N., Aujard I., Benbrahim-Bouzidi C., Le Saux T., Rampon C., Gauron C., Goetz B., Dubruille S. et al..  2010.  Photocontrol of protein activity in cultured cells and zebrafish with one- and two-photon illumination. Chembiochem. 11:653–663.
Sinha D.K, Neveu P., Gagey N., Aujard I., Benbrahim-Bouzidi C., Le Saux T., Rampon C., Gauron C., Goetz B., Dubruille S. et al..  2010.  Photocontrol of protein activity in cultured cells and zebrafish with one- and two-photon illumination. Chembiochem. 11:653–663.
Lamiable A, Thevenet P, Rey J, Vavrusa M, Derreumaux P, Tuffery P.  2016.  PEP-FOLD3: faster denovo structure prediction for linear peptides in solution and in complex. Nucleic Acids Res.. 44:W449-W454.
Versini R., Sritharan S., B. Fas A, Tubiana T., Aimeur S.Z, Henri J., Erard M., Nüsse O., Andreani J., Baaden M. et al..  2024.  A Perspective on the Prospective Use of AI in Protein Structure Prediction. J Chem Inf Model. 64:26–41.
Viet MHoang, Derreumaux P, Li MSuan, Roland C, Sagui C, Nguyen PHoang.  2015.  Picosecond dissociation of amyloid fibrils with infrared laser: A nonequilibrium simulation study. J. Chem. Phys.. 143:155101.
Man VHoang, Van-Oanh N-T, Derreumaux P, Li MSuan, Roland C, Sagui C, Nguyen PHoang.  2016.  Picosecond infrared laser-induced all-atom nonequilibrium molecular dynamics simulation of dissociation of viruses. Phys. Chem. Chem. Phys.. 18:11951–11958.
Viet MHoang, Truong PMinh, Derreumaux P, Li MSuan, Roland C, Sagui C, Nguyen PHoang.  2015.  Picosecond melting of peptide nanotubes using an infrared laser: a nonequilibrium simulation study. Phys. Chem. Chem. Phys.. 17:27275–27280.
Ngo STung, Derreumaux P, Vu VV.  2019.  Probable Transmembrane Amyloid α-Helix Bundles Capable of Conducting Ca Ions.. J Phys Chem B. 123(12):2645-2653.
PETICOLAS WL, WILSON KJ, Derreumaux P, VERGOTEN G.  1989.  RAMAN-SPECTROSCOPY, MOLECULAR-FORCE FIELDS, AND THE DYNAMICS OF BIOLOGICAL MOLECULES. Chemica Scripta. 29A:113–122.
Vartia AA, Mitchell-Koch KR, Stirnemann G, Laage D, Thompson WH.  2011.  On the reorientation and hydrogen-bond dynamics of Alcohols. J. Phys. Chem. B. 115:12173–12178.
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.
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.
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.
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.
Derreumaux P, Dauchez M, VERGOTEN G.  1993.  THE STRUCTURES AND VIBRATIONAL FREQUENCIES OF A SERIES OF ALKANES USING THE SPASIBA FORCE-FIELD. J. Mol. Struct.. 295:203–221.
Katava M., Maccarini M., Villain G., Paciaroni A., Sztucki M., Ivanova O., Madern D., Sterpone F.  2016.  Thermal activation of ‘allosteric-like’ large-scale motions in a eukaryotic Lactate Dehydrogenase.. Sci. Reports. 7:41092.
Leuba S.H, Yang G., Robert C., Samori B., van Holde K., Zlatanova J., Bustamante C..  1994.  Three-dimensional structure of extended chromatin fibers as revealed by tapping-mode scanning force microscopy. Proc. Natl. Acad. Sci. U.s.a.. 91:11621–11625.

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