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.   

Sponsors and Donators

Croatian Science Foundation
Foundation of the Croatian Academy of Science and Arts
Informos d.o.o.
Ministry of Science and Education
O2 d.o.o.

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