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Natacha Gillet

Interested by proteins for a long time, I have focused my research since my PhD on biological processes involving charge transfers using QM/MM simulations. I worked in the "charge transfer" team in the group of Pr. M. Elstner. We studied proteins systems such as photolyase/cryptochrome, ribonucleotide reductase, azurins... After a short stay in the group of Pr. A. Dejeagere and R. Stote, with a project about nuclear receptors, I joined the laboratoire de chimie de l'ENS Lyon as a CNRS resercher to work on charge transfer in several DNA structures using MM and QM/MM approaches.

Julia Contreras-García   

Journal articles1 document

  • Natacha Gillet, Robin Chaudret, Julia Contreras-García, Weitao Yang, Bernard Silvi, et al.. Coupling Quantum Interpretative Techniques: Another Look at Chemical Mechanisms in Organic Reactions. Journal of Chemical Theory and Computation, American Chemical Society, 2012, 8 (11), pp.3993-3997. ⟨10.1021/ct300234g⟩. ⟨hal-02126838⟩