The Chemistry Department of the Faculty of Science, Zagreb, May 12, 2018
The Book of Abstracts is available here. Photographs from the meeting are here.
08:50–09:00 Opening addresses
Prof. dr. Aleksandra Čižmešija, dean of the Faculty of Science, University of Zagreb
Dr. David M. Smith, director of the Ruđer Bošković Institute, Zagreb
Dr. Davor Margetić, president of the Croatian Chemical Society
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
Organizing Committee: Darko Babić (RBI, Zagreb), Danijela Barić (RBI, Zagreb), Marko Cvitaš (UniZg-FS, Zagreb), Ines Despotović (RBI, Zagreb), Nađa Došlić (RBI, Zagreb), Marko Hanževački (RBI, Zagreb), Tomica Hrenar (UniZg-FS, Zagreb), Borislav Kovačević (RBI, Zagreb), Ivan Ljubić (RBI, Zagreb), Zlatko Mihalić (UniZg-FS, Zagreb) and Robert Vianello (RBI, Zagreb)