Pre-conference workshop
Friday, May 8th, 2026, at The University Computing Centre (SRCE) (precise time will be announced)
Gordan Horvat (Department of Chemistry, Faculty of Science, University of Zagreb)
A beginner’s guide to GROMACS and best practices on Supek supercomputer
An introductory GROMACS Workshop with BASH Scripting — a hands-on session designed for beginners interested in molecular dynamics simulations. The workshop will cover the fundamentals of using GROMACS for biomolecular modeling, along with essential BASH scripting techniques to automate and streamline simulation workflows. Whether you’re new to computational chemistry or looking to enhance your command-line skills, this session will provide a practical foundation to get you started. No prior experience is required — just bring your curiosity and willingness to learn!
The Conference
Saturday, May 9th, 2026, at The Ruđer Bošković Institute
The invited lecturers:
- Prof. dr. Pedro Alexandrino Fernandes (Dept. of Chemistry and Biochemistry, University of Porto, Porto, Portugal)
Toxins In Motion: Computational Exploration of Snake Venom Protein Mechanisms - Prof. dr. Daniela Kalafatović (Faculty of Engineering, University of Rijeka, Rijeka, Croatia)
title to be announced - Dr. Ivana Nikšić-Franjić (Ruđer Bošković Institute, Zagreb, Croatia)
title to be announced - Dr. Fabijan Pavošević (Algorithmiq, Helsinki, Finland)
Molecular Excitation Energies Simulated on a Superconducting Quantum Computer - Prof. dr. Ana Sunčana Smith (Friedrich Alexander University Erlangen-Nürnberg, Erlangen, Germany / Ruđer Bošković Institute, Zagreb, Croatia)
Computational Mechanochemistry - Dr. Antonija Tomić (Ruđer Bošković Institute, Zagreb, Croatia)
A Multidisciplinary Approach to Understanding How DPP3 Catalytic Activity Influences Its Interaction with Keap1 and Vice Versa - Prof. dr. Bojan Žagrović (Max Perutz Labs, University of Vienna, Vienna, Austria)
The physicochemical code of RNA-protein biology