J1-2014 — Annual report 2009
1.
Dynamics of proton transfer processes in biological systems

The lecture was about dynamics of proton transfer processes in small hydrogen-bonded systems and enzymes. The relevance of nuclear quantum effects for receptor triggering was discussed.

B.04 Guest lecture

COBISS.SI-ID: 4298266
2.
Dynamical model of the E. coli MurD enzyme and in silico design of novel inhibitors

We presented the construction of a complex dynamical model of the MurD ligase from E. coli on the basis of available structural and kinetic data. Furthermore, by utilizing available structural data for MurD and MurE enzymes we identified a novel class of dual MurD/MurE inhibitors which as a possible D-Glu surrogate contain benzene-1,3-dicarboxylic fragment.

B.04 Guest lecture

COBISS.SI-ID: 4327450