Workshop on BioExcel Software Tools (11-12 February 2026) · IJS Indico

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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

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