The Croatian Association for Cancer Research (HDIR) is once again organizing this year—now for the 10th time—the hands-on workshop “Introduction to Molecular Modeling”, which will present computational methods of molecular modeling and their applications in various research fields.
The three-day workshop is intended for the wider scientific community and will take place on 13 and 14 April (Monday and Tuesday) at the Ruđer Bošković Institute in Zagreb, and on 20 April (Monday) online.
The number of participants is limited to 17, and attendees are required to bring their own laptop. Registration is mandatory via the online form available at:
https://tinyurl.com/UMM-2026
To participate in the workshop, it is necessary to pay a registration fee of €30 to the HDIR account (IBAN HR5023600001102084564). The fee covers participation in the workshop, a certificate of attendance, and coffee breaks on 13 and 14 April.
The aim of the workshop “Introduction to Molecular Modeling (MM)” is to introduce researchers and students who use experimental methods in their work to in silico MM methods, especially their application in interdisciplinary research on the molecular basis of disease and in the discovery of new biologically active small molecules, within a data-driven science framework. On the first day, approaches and MM methods commonly used to describe small molecules (compounds) and macromolecules (proteins and nucleic acids) will be presented, as well as open-access compound and macromolecule databases such as PubChem, ChEMBL, PDB, and AlphaFold. Participants will also learn how to use available AI/ML tools for ADMET characterization of potentially active compounds. On the second day, hands-on work will include using the PDB and AlphaFold databases, PyMOL for visualization, and molecular docking software, to gain insight into protein–protein interactions and protein–compound interactions.
