Published June 27, 2023 11:07
At the 2023 iNext-Discovery conference, which was situated at Budapest, two of our PhD students presented their research topic. Márton Gadanecz and Zsolt Fazekas talked about a new technique suitable for the incorporation of missing small molecules, cofactors, and metal-ions into NMR structural ensembles. They tested the validity of this method through the structure-determination of a novel, Mg-ion lost KRas structure, as well as through the structure-determination of an already known KRas structure. This technique, which is based on molecular dynamics calculations, is able to refine any protein structural ensemble.
