Faculty of Pharmacy and Biochemistry, Zagreb, May 11, 2019
The Book of Abstracts is available here.
09:00–09:30 Opening addresses
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
More photographs from the meeting can be found here.