Publications

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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.
Trellet M, Férey N, Flotyński J, Baaden M, Bourdot P.  2018.  Semantics for an Integrative and Immersive Pipeline Combining Visualization and Analysis of Molecular Data.. J Integr Bioinform. 15(2)
Baaden M, Berny F., Muzet N., Schurhammer R., Wipff G..  2000.  Separation of radioactive cations by liquid-liquid extraction: computer simulations of water / oil solutions of salts and ionophores. Proceedings of the Euradwaste 1999 conference. :390–393.
Kozin S.A, Bertho G., Mazur AK, Rabesona H., Girault J.P, Haertle T., Takahashi M., Debey P., Hoa G.H.  2001.  Sheep prion protein synthetic peptide spanning helix 1 and beta-strand 2 (residues 142-166) shows beta-hairpin structure in solution. J. Biol. Chem.. 276:46364–46370.
Guharoy M, Janin J\�el, Robert CH.  2010.  Side-chain rotamer transitions at protein-protein interfaces. Proteins: Struct., Funct., Bioinf.. 78:3219–25.
Robert CH, Ho PS.  1995.  Significance of bound water to local chain conformations in protein crystals. Proc. Natl. Acad. Sci. U.s.a.. 92:7600–7604.
Derreumaux P.  2008.  Simulating the early steps of amyloid fibril formation and disassembly. Publication Series of the John von Neumann Institute for Computing NIC Series. 40:7–12.
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.
Kobus M, Lieder M, Nguyen PHoang, Stock G.  2011.  Simulation of transient infrared spectra of a photoswitchable peptide. J. Chem. Phys.. 135
Baaden M.  2010.  Simulations numériques de systèmes biologiques complexes : dynamique, structure et fonction de transporteurs, canaux et enzymes.
Hubert P, Sawma P, Duneau J-P, Khao J, Hénin J, Bagnard D, Sturgis J.  2010.  Single-spanning transmembrane domains in cell growth and cell-cell interactions: More than meets the eye? Cell Adh. Migr.. 4:313–324.
Kamashev DE, Mazur AK.  2004.  Single-stranded breaks relax intrinsic curvature in DNA? Biochemistry. 43:8160–8168.
Lu D, Danilowicz C, Tashjian TF, Prévost C, Godoy VG, Prentiss M.  2019.  Slow extension of the invading DNA strand in a D-loop formed by RecA-mediated homologous recombination may enhance recognition of DNA homology. J Biol Chem. 294:8606-8616.
Lu Y, Shi X-F, Salsbury FR, Derreumaux P.  2017.  Small static electric field strength promotes aggregation-prone structures in amyloid-β(29-42).. J Chem Phys. 146(14):145101.
Lesage A., Lelièvre T., Stoltz G., Hénin J.  2017.  Smoothed biasing forces yield unbiased free energies with the extended-system Adaptive Biasing Force method. J. Phys. Chem. B. 121(15):3676–3685.
Robert CH, Janin J.  1998.  A soft, mean–field potential derived from crystal contacts for predicting protein–protein interactions. J. Mol. Biol.. 283:1037–1047.
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.

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