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, February 11, 2026 (8:30 AM) to Thursday, February 12, 2026 (2:00 PM)

Monday, February 9, 2026
Tuesday, February 10, 2026
Wednesday, February 11, 2026

8:30 AM Registration
Registration
8:30 AM - 9:15 AM

9:15 AM Opening
Opening
9:15 AM - 9:30 AM
9:30 AM 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
9:30 AM - 10:30 AM
10:30 AM Break
Break
10:30 AM - 11:00 AM
11:00 AM 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 AM - 1:00 PM
1:00 PM Lunch
Lunch
1:00 PM - 2:00 PM
2:00 PM Lecture: Integrative modelling with HADDOCK - Victor Reys
Lecture: Integrative modelling with HADDOCK
- Victor Reys
2:00 PM - 3:00 PM
3:00 PM Break
Break
3:00 PM - 3:30 PM
3:30 PM Practical: HADDOCK tutorial on antibody-antigen modelling - Victor Reys
Practical: HADDOCK tutorial on antibody-antigen modelling
- Victor Reys
3:30 PM - 5:00 PM
7:30 PM Social dinner (optional, TBD)
Social dinner (optional, TBD)
7:30 PM - 10:00 PM
Thursday, February 12, 2026
10:00 AM Lecture: Introduction to alchemical free energy calculations - Sudarshan Behera
Lecture: Introduction to alchemical free energy calculations
- Sudarshan Behera
10:00 AM - 11:00 AM
11:00 AM Break
Break
11:00 AM - 11:30 AM
11:30 AM Practical: Tutorial on ligand modifications with PMX - Sudarshan Behera
Practical: Tutorial on ligand modifications with PMX
- Sudarshan Behera
11:30 AM - 1:00 PM
1:00 PM Lunch
Lunch
1:00 PM - 2:00 PM

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