The Chemistry Department of the Faculty of Science, Zagreb, May 12, 2018
The Book of Abstracts is available here.
08:50–09:00 Opening addresses
1st session (moderator: Nađa Došlić)
09:00–09:30 Sanja Tomić (RBI)
Computational studies as an aid to the experiments in revealing the secrets of biomacromolecules
09:30 – 10:00 Valerije Vrček (FBF)
Chemical fate of pharmaceuticals and design of organometallic nucleobases – two different probes for computational methods
10:00 – 10:30 Marko Hanževački (RBI) and David M. Smith
The binding free–energy calculation using molecular dynamics: from macrocycles to proteins
10:30 – 11:00 Coffee break
2nd session (moderator: Ivan Ljubić)
11:00 – 11:30 Sanja Koštrun (Fidelta)
Macrolide inspired macrocycles – novel templates towards drugs for unmet medical needs
11:30 – 12:00 Ivan Kodrin (PMF) and Marijana Đaković
Molecular electrostatic potential values as a tool for prediction of supramolecular interactions in coordination compounds
12:00 – 12:30 Ivan Marić (Srce)
Croatian scientific and educational cloud (HR-ZOO) – Project overview
12:30 – 14:00 Lunch break and Poster session
3rd session (moderator: Marko Cvitaš)
14:00 – 14:30 Robert Vianello (RBI)
Computational insight into the selectivity and catalytic activity of monoamino oxidase for targeting neurodegenerative diseases
14:30 – 15:00 Mario Vazdar (RBI)
Arginine “magic”: guanidinium like-charge ion pairing from aqueous salts to cell penetrating peptides
15:00 – 15:30 Tomica Hrenar (PMF, Zagreb)
Strategies for full conformational analysis
15:30 – 15:35 Closing remarks
15:35 – 17:00 Poster session with more coffee
More photographs from the meeting can be found here.