Publications

~~ If you cannot - in the long run - tell everyone what you have been doing, your doing has been worthless. -- Erwin Schrodinger ~~

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  1. G. Chevrot, E.E. Fileti, V.V. Chaban. Protein remains stable at unusually high temperatures when solvated in aqueous mixtures of amino acid based ionic liquids. J. Mol. Model. 22:258, 2016. [PDF] - [DOI]

  2. G. Chevrot, E.E. Fileti, V.V. Chaban. Enhanced stability of the model mini-protein in amino acid ionic liquids and their aqueous solutions. J. Comput. Chem. 36:2044, 2015. [PDF] - [DOI]

  3. G. Chevrot, K. Hinsen and G.R. Kneller. Model-free simulation approach to molecular diffusion tensors. J. Chem. Phys. 139:154110, 2013. [PDF] - [DOI]

    Supplementary material for water and lysozyme

  4. G.R. Kneller and G. Chevrot. Impact of anisotropic atomic motions in proteins on powder-averaged incoherent neutron scattering intensities. J. Chem. Phys. 137:225101, 2012. [PDF]

  5. G. Chevrot, A. Sollier and N. Pineau. Molecular dynamics and kinetic study of carbon coagulation in the release wave of detonation products. J. Chem. Phys. 136:084506, 2012. [PDF]

  6. G. Chevrot, P. Calligari, K. Hinsen and G.R. Kneller. Least constraint approach to the extraction of internal motions from molecular dynamics trajectories of flexible macromolecules. J. Chem. Phys. 135:084110, 2011. [PDF]

  7. J.H. Los, N. Pineau, G. Chevrot, G. Vignoles, JM Leyssale. Formation of multiwall fullerenes from nanodiamonds studied by atomistic simulations. Phys. Rev. B 80:155420, 2009. [PDF]

  8. G. Chevrot, E. Bourasseau, N. Pineau, JB Maillet. Molecular dynamics simulations of nanocarbons at high pressure and temperature. Carbon 47:3392, 2009. [PDF]

  9. G. Chevrot, R. Schurhammer, G. Wipff. Molecular dynamics study of dicarbollide anions in nitrobenzene solution and at its aqueous interface. Synergistic effect in the Eu(III) assisted extraction. Phys. Chem. Chem. Phys. 9:5928, 2007. [PDF]

  10. G. Chevrot, R. Schurhammer, G. Wipff. Synergistic effect of dicarbollide anions in liquid-liquid extraction: a molecular dynamics study at the octanol-water interface. Phys. Chem. Chem. Phys. 9:1991, 2007. [PDF]

  11. G. Chevrot, R. Schurhammer, G. Wipff. Molecular dynamics simulations of the aqueous interface with the [BMI][PF6] ionic liquid: comparison of different solvent models. Phys. Chem. Chem. Phys. 8:4166, 2006. [PDF]

  12. G. Chevrot, R. Schurhammer, G. Wipff. Surfactant behavior of "ellipsoidal" dicarbollide anions: A molecular dynamics study. J. Phys. Chem. B 110:9488, 2006. [PDF]