Successfully defended dissertation thesis

​

On 3rd September, our colleague Gabriela Bučeková successfully defended her dissertation thesis at the Faculty of Science, Masaryk University. Her thesis topic is "Bioinformatics analysis of protein properties".

The doctoral thesis analyses selected properties of proteins and their ligands using computational methods. The first part focuses on the conformations of rings in protein ligands and their analysis across a large structural dataset. The second part is devoted to the development and application of the MOLEonline tool for analysing protein tunnels and pores. The third part deals with the calculation and analysis of partial atomic charges using the PDBCharges tool. The final part focuses on the metadata of molecular dynamics simulations and the development of the GROMACS MetaDump tool for their automatic extraction.

Congratulations!