Browsing VI-SEEM Life Sciences by Author "Galdadas, Ioannis"
Now showing items 1-3 of 3
-
Insights into the mechanism of the PIK3CA E545K activating mutation using MD simulations
Leontiadou, Hari; Galdadas, Ioannis; Cournia, ZoeThe kinase PI3Ka is involved in fundamental cellular processes such as cell proliferation and differentiation and is frequently mutated in human malignancies. One of the most common mutations is E545K, which ... -
Investigating the effect of RXRa S427F mutant on RXRa tetramers
Cournia, Zoe; Galdadas, IoannisRetinoid X nuclear receptors (RXRs) are ligand-dependent transcriptional modulators that execute their biological action through the generation of functional heterodimers. Biochemical data indicate that, in the absence of ... -
Metal-Organic Frameworks as drug delivery systems: The case of IRMOF-74-III and gemcitabine studied by MD simulations
Cournia, Zoe; Galdadas, Ioannis (BRFAA, 2017-04-27)A multiscale computational study is reported that investigates the microscopic behavior of the anti-cancer drug gemcitabine (GEM) stored in metal organic frameworks IRMOF-74-III and the functionalized OH-IRMOF-74-III. ...