Memoria COMPUTAEX 2019

Memoria Anual 2019
Ciencias de la Vida
DFT simulations on the study of the dielectric function of novel nanostructured
materials
Francesca Peiró. Universitat de Barcelona. [Proyecto soportado en CéntiS procedente de la Red
Española de Supercomputación]
In the present work, the anisotropic electrical conductivity of GaInP CuPtB type ordered layers will
be assessed by using in-situ biasing in a Transmission Electron Microscopy (TEM). The electrical
conductivity of GaInP thin films with different degree of order (controlled by the amount of Sb flux
during the growth) will be measured in the orthogonal [110] and [1-10] directions. The anisotropy
will be evaluated as a function of the density of ordered domains and antiphase boundaries and the
results will be discussed in the light of DFT simulations.
Discovery of p53 tetramer stabilization peptides
Ernest Giralt Lledó. Institute for Research in Biomedicine (IRB). [Proyecto asignado a través de la
Red Española de Supercomputación].
Tetramer formation of p53 (TP53) is essential for its tumor suppressor function. The p53 not only acts
as a tumor suppressor protein by inducing cell cycle arrest and apoptosis. More than 50% of human
tumors have TP53 gene mutations, and most of them are missense mutations that reduce tumor
suppressor activity of p53 by destabilizing the TP53 formation. A new therapeutical intervention
where an active peptide is able to stabilize TP53 tetramers and re-store functional protective activity
of p53 is pursued in this project by combining state-of-the-art experimental and computational
approaches.
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