Workshop on BioExcel Software Tools
from
Wednesday 11 February 2026 (08:30)
to
Thursday 12 February 2026 (14:00)
Monday 9 February 2026
Tuesday 10 February 2026
Wednesday 11 February 2026
08:30
Registration
Registration
08:30 - 09:15
09:15
Opening
Opening
09:15 - 09:30
09:30
Lecture: BioExcel Building Blocks (BioBB), a software library for interoperable biomolecular simulation workflows
Lecture: BioExcel Building Blocks (BioBB), a software library for interoperable biomolecular simulation workflows
09:30 - 10:30
10:30
Break
Break
10:30 - 11:00
11:00
Practicals: Protein MD setup & Automatic Ligand Parameterization
Practicals: Protein MD setup & Automatic Ligand Parameterization
11:00 - 13:00
13:00
Lunch
Lunch
13:00 - 14:00
14:30
Lecture: Integrative modelling with HADDOCK
Lecture: Integrative modelling with HADDOCK
14:30 - 15:30
15:30
Break
Break
15:30 - 16:00
16:00
Practical: HADDOCK tutorial on antibody-antigen modelling
Practical: HADDOCK tutorial on antibody-antigen modelling
16:00 - 17:30
19:30
Social dinner
Social dinner
19:30 - 22:00
Thursday 12 February 2026
10:00
Lecture: Introduction to alchemical free energy calculations
Lecture: Introduction to alchemical free energy calculations
10:00 - 11:00
11:00
Break
Break
11:00 - 11:30
11:30
Practical: Tutorial on ligand modifications with PMX
Practical: Tutorial on ligand modifications with PMX
11:30 - 13:00
13:00
Lunch
Lunch
13:00 - 14:00