The capabilities and limitations of NMR methods for the investigation of ligand-protein interactions were presented. Our case-studies of NMR-assisted discovery of novel inhibitors of attractive antimicrobial targets were used to explain the application of ligand-based and protein-based NMR methods. Special attention was given to the advantage of NMR spectroscopy for the studies of dynamic processes in molecular complexes. The influence of conformational dynamics on the stability of ligand-receptor interactions and on the inhibitory activities of novel ligands was presented.
B.04 Guest lecture
COBISS.SI-ID: 4815130Simona Golič Grdadolnik was mentor of young researcher Mihael Simčič. She was guiding him in the studies of conformation, dynamics and interactions in complex molecular systems using the methods of NMR spectroscopy and molecular modeling. Mihael Simčič was involved in the studies of binding properties of novel muramyl ligase inhibitors. He has successfully defended his Ph.D. thesis in 2011.
D.09 Tutoring for postgraduate students
COBISS.SI-ID: 258135552We cooperate with Krka d.d. by developing new analytical tools based on the vibrational spectroscopy and modern chemometric methods. The cooperation is based on the annual contracts. These contracts were basis upon which the program (as a part of the EN-FIST centre of excellence) with the title “Vibrational spectroscopy of drugs and auxiliary substances” was selected for funding. Principal investigator: J. Grdadolnik.
D.01 Chairing over/coordinating (international and national) projects