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Espinosa, Tiago


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Tel : +(33)(0)3884141 ??
Fax : +(33)(0)388414099
email : tiago.espinosa[at]

Research activities

My research activity has focused in classical molecular dynamics simulations (all atom and coarse grained) of biological systems and soft matter. I received a PhD in Chemistry from Universidade Federal do Rio Grande do Sul (UFRGS) in 2016 under supervision of Prof. Paulo A. Netz with a visiting period in Max Planck Institute for Polymer Research (MPIP) under supervision of Prof. Kurt Kremer. In my thesis, I have performed classical molecular dynamics studies of smart polymers systems and multiscale methods. Since joining the Institut Charles Sadron in Strasbourg, in the group of Prof. Carlos Marques (MCube) as a postdoc, my research has been devoted to molecular dynamics simulations of membrane-forming fatty alcohol systems in collaboration with Prof. Fabrice Thalmann, L’Oréal and Computing Center for Research and Technology (CCRT).



[1] Mukherji, D., Wagner, M., Watson, M. D., Winzen, S., Oliveira, T. E., Marques, C. M., Kurt, K. (2016). Relating side chain organization of PNIPAm with its conformation in aqueous methanol. Soft Matter, 12 (38), 7995-8003.

[2] Nick, T. A., Oliveira, T. E., Pilat, D. W., Spenkuch, F., Butt, H., Helm, M., Netz, P. A., Berger, R. (2016). Stability of a Split Streptomycin Binding Aptamer. Journal of Physical Chemistry B, 120 (27), 6479-6489.

[3] Oliveira, T. E., Netz, P. A., Kremer, K., Junghans, C., Mukherji, D. (2016). C-IBI : Targeting cumulative coordination within an iterative protocol to derive coarse-grained models of (multi component) complex fluids. The Journal of Chemical Physics, 144, 174106.


[4] Oliveira, T. E., Netz, P. A., Mukherji, D., Kremer, K. (2015). Why does high pressure destroy cononsolvency of PNIPAm in aqueous methanol ? Soft Matter, 11 (44), 8599-8604.

[5] Grasel, F. S., Oliveira, T. E., Netz, P. A. (2015). Investigation of the Interaction of 2-(2’-Hydroxyphenyl)-benzoxazoles and their Derivatives with B-DNA by Docking and Molecular Dynamics. Journal of the Brazilian Chemical Society, 26, 420-433.

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