Workshop on BioExcel Software Tools

 

This 1.5-day organized workshop within Adriatic Edition of Bioexcel offers a hands-on introduction to modern 

computational tools and workflows in biomolecular simulations. Participants (primarily from Italy, Croatia and Slovenia) 

will explore key software  frameworks such as BioExcel Building Blocks (BioBB) for setting up reproducible molecular 

dynamics workflows, and gain practical experience with protein MD setup and automatic ligand parameterization. 

Further two topics of the workshop cover integrative modelling with HADDOCK, including a tutorial on antibody–antigen 

complex modelling and alchemical free energy calculations, followed by a PMX-based practical on ligand modifications.

 

Through a combination of lectures and guided tutorials, the workshop provides both theoretical grounding

and practical skills best suited for PhD students and young researchers in computational biology and

molecular modelling.

 

For more information, write to: bioexcel.ae-lj@ki.si