Program of the meeting
08:45 - 09:00 Opening addresses (3rd wing, the lecture room)
1st session (moderator: Ines Despotović)
09:00 - 09:30 Luca Grisanti (IRB)
Multiscale Modeling of Organic and Bio-materials: Energy Transfer and Molecular Excitons (IL) (unavailable)
09:30 - 10:00 Davor Šakić (FBF)
Shining Light on the Old Reaction; Reneissance of the Hofmann–Löffler–Freytag Reaction (IL) (PDF)
10:00 - 10:20 Davor Oršolić (IRB)
Compound-Kinase Binding Affinity Prediction with Confidence Guarantees (CL) (PDF)
10:20 - 10:40 Ana Mikelić (PMF-KO)
Evolution of Inhibition Models for Fluorinated Cinchona Alkaloids by Machine Learning (CL) (PDF)
10:40 – 11:10 Coffee break
2nd session (moderator: Robert Vianello)
11:10 - 11:40 Sanja Koštrun (Selvita, d.o.o)
Macrolide Inspired Macrocycles as Effective Disruptors of the IL-17A/IL-17RA Interaction (IL) (unavailable)
11:40 - 12:10 Branimir Bertoša (PMF-KO)
Computational Study as Guideline for Experimental Research (IL) (PDF)
12:10 - 12:30 Jurica Novak (OBT-RI)
Computational Chemistry Artillery Against Viruses (CL) (PDF)
12:30 - 12:50 Emir Imamagić (Srce)
Project HR-ZOO - The Final Stages of Implementation (CL) (PPTX)
12:50 - 14:00 Lunch break (1st wing, corridors on the ground floor)
3rd session (moderator: Nada Došlić)
14:00 - 14:30 Marko Cvitaš (PMF-FO)
Vibrational Tunneling Spectra of Molecules via Instanton Theory (IL) (PDF)
14:30 - 14:50 Mihael Eraković (IRB)
Substituent Effect on Tunneling in Heterodimers of Benzoic Acids (CL) (PDF)
14:50 - 15:10 Jiangyang You (IRB)
Modelling Electron Spin Decoherence at Low Temperatures (CL) (PDF)
15:10 - 15:30 Aleksandra Maršavelski (PMF-KO)
How Norvaline Affect the Stability of Secondary Protein Structures – a Computational Study (CL) (unavailable)
15:30 - 15:50 Tomislav Piteša (IRB)
How to Interpret Trajectory Surface Hopping Dynamics? (CL) (PPTX)
15:50 - 16:00 Concluding remarks
16:00 - 18:00 Poster session (1st wing, corridors on the ground floor)
18:00 – 24:00 Party near the pool
(IL): invited lecture, (CL): contributed lecture
The Book of Abstracts is available here.
The photographs from the meeting can be found here.
