Name: Workshop on BioExcel Software Tools
Start: 2026-02-11T08:30:00+01:00
End: 2026-02-12T14:00:00+01:00
Location: No location set

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 - Adam Hospital
Lecture: BioExcel Building Blocks (BioBB), a software library for interoperable biomolecular simulation workflows
- Adam Hospital
09:30 - 10:30
10:30 Break
Break
10:30 - 11:00
11:00 Practicals: Protein MD setup & Automatic Ligand Parameterization using BioExcel Building Blocks - Adam Hospital
Practicals: Protein MD setup & Automatic Ligand Parameterization using BioExcel Building Blocks
- Adam Hospital
11:00 - 13:00
13:00 Lunch
Lunch
13:00 - 14:00
14:00 Lecture: Integrative modelling with HADDOCK - Victor Reys
Lecture: Integrative modelling with HADDOCK
- Victor Reys
14:00 - 15:00
15:00 Break
Break
15:00 - 15:30
15:30 Practical: HADDOCK tutorial on antibody-antigen modelling - Victor Reys
Practical: HADDOCK tutorial on antibody-antigen modelling
- Victor Reys
15:30 - 17:00
19:30 Social dinner (optional, TBD)
Social dinner (optional, TBD)
19:30 - 22:00
Thursday, 12 February 2026
10:00 Lecture: Introduction to alchemical free energy calculations - Sudarshan Behera
Lecture: Introduction to alchemical free energy calculations
- Sudarshan Behera
10:00 - 11:00
11:00 Break
Break
11:00 - 11:30
11:30 Practical: Tutorial on ligand modifications with PMX - Sudarshan Behera
Practical: Tutorial on ligand modifications with PMX
- Sudarshan Behera
11:30 - 13:00
13:00 Lunch
Lunch
13:00 - 14:00

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