Faculty of Pharmacy and Biochemistry, Zagreb, May 11, 2019
The Book of Abstracts is available here. Photographs from the meeting are here.
09:00–09:30 Opening addresses
Prof. dr. Ana Mornar Turk, vice dean for student affairs of the Faculty of Pharmacy and Biochemistry, University of Zagreb
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)
09:30–10:00 Zlatko Mihalić (PMF, Zagreb)
Computational chemistry today, or how to obtain accurate numbers with minimum effort
10:00 – 10:30 Marina Šekutor (RBI)
Configuration and reactivity of diamondoids on a Cu(111) surface
10:30 – 11:00 Antonija Tomić (RBI), Gordan Horvat, Michael Ramek, Dejan Agić, Hrvoje Brkić and Sanja Tomić
Development of new zinc ion parameters suitable for classical MD simulations of zinc metallo-peptidases
11:00 – 11:30 Coffee break
2nd session (moderator: Ivan Ljubić)
11:30 – 12:00 Yogesh Sonavane and Larisa Zoranić (PMF, Split)
Conformational adaptivity of designed antimicrobial peptides
12:00 – 12:30 Hrvoje Rimac (FBF)
Formation of a ternary human serum albumin-indomethacine-quercetin complex and energy transfer
12:30 – 13:00 Vatroslav Letfus (Fidelta), Dubravko Jelić, Ana Bokulić, Adriana Petrinić Grba and Sanja Koštrun
Rational design, synthesis and biological profiling of new JMJD2C inhibitors
13:00 – 14:00 Lunch break and Poster session
3rd session (moderator: Marko Cvitaš)
14:00 – 14:30 Zlatko Brkljača (RBI), Sanja Škulj and Mario Vazdar
Insights into translocation of charged species along membrane proteins using advanced free energy calculations
14:30 – 15:00 Marin Sapunar (RBI), Tomislav Piteša, Davor Davidović and Nađa Došlić
Tracking excited electronic states in nuclear coordinate space
15:00 – 15:30 Tana Tandarić (RBI) and Robert Vianello
Computational insight into the MAO B enzyme irreversible inhibition
15:30 – 16:00 Karlo Sović (PMF, Zagreb) and Tomica Hrenar
Conformational analysis of fused ring systems using tensor decomposition methods
16:00 – 16:05 Closing remarks
16:05 – 18:00 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), Davor Šakić (Head of the Organizing Committee, UniZg-FPB, Zagreb), Tana Tandarić (RBI, Zagreb), Mario Vazdar (RBI, Zagreb), Robert Vianello (RBI, Zagreb), Valerije Vrček (UniZg-FPB, Zagreb) and Tin Weitner (UniZg-FPB, Zagreb)