P1-0012 — Annual report 2014
1.
2013 Chemistry Nobel Prize

Members of our program group have been collaborating with Prof. Arieh Warshel, the Nobel Prize Laureate. One of the major activities of the group is the implementation of multiscale simulation methods in the research of enzyme catalytic activity. The group leader presented to the broad audience the achievements of the Laureate and the activities of the program group.

D.10 Educational activities

COBISS.SI-ID: 5447962
2.
Presentation of the novel discovered inhibitors of human DNA topoisomerase II alpha inhibitors at the international conference

We presented our current research results of the discovery of novel human DNA topoisomerase II alpha inhibitors at the established medicinal chemistry conference: Drug Design & Medicinal Chemistry Conference taking place in Berlin in May 2014.

B.03 Paper at an international scientific conference

COBISS.SI-ID: 5496090
3.
Invited lecture at the Medical School, University of Michigan, Ann Arbor, USA

During the research visit at the Medical School, University of Michigan, USA in 2014 the researcher gave an invited lecture concerning the topic of Computational approaches for designing novel selective small molecule inhibitors of Mcl-1 protein and DNA topoisomerase II. Visited research group of Prof. Nikolovska-Coleska from University of Michigan, Ann Arbor plays an important role as a collaborator in the research activities of this research program.

B.04 Guest lecture

COBISS.SI-ID: 5593114
4.
Empirical valence bond simulations of the hydride transfer step in the monoamineoxidase B catalyzed metabolism of dopamine

The pogram group leader presented our current research of the mechanism of the catalyic step of MAO B involved in degradation of neurotransmitters in the central nervous system.

B.04 Guest lecture

COBISS.SI-ID: 5626138
5.
Multiscale molecular simulations of the hydride transfer in the monoamine oxidase B catalyzed metabolism of dopamine

The program group leader had a lecture at the St. Andrews College, presenting multiscale simulation techniques in computational enzymology and their application to the case of dopamine degradation catalyzed by MAO B.

B.05 Guest lecturer at an institute/university

COBISS.SI-ID: 5562138