Language: English
Organisers: NCC Türkiye, BioExcel and NCC Sweden in the context of CASTIEL 2 "Training Sprint" Initiative
Format: Hybrid (on-site & online)
Level: Intermediate
Prerequisites:
-Experience in a Linux environment, jupyter notebook, Python, Conda, and BioBB library.
-Familiarity with High-Performance Computing (HPC) systems is required for participation in the hands-on sessions.
-The training is primarily designed for participants from academia (with at least a graduate degree), industry, or public administration who are using or planning to use biomolecular modeling and simulation in their research.
Topic: Biomolecular Modeling
General Information: The training consists of four sessions:
- Integrative modeling of biomolecular complexes with HADDOCK by Alexandre M.J.J Bonvin
- Molecular Dynamics Simulations – GROMACS by Nandan Haloi, PhD
- Interoperable and Reproducible Biomolecular Simulation Workflows using BioExcel Building Blocks (BioBB) by Adam Hospital
- Fundamentals and Practical Use Cases of Free Energy Calculations with PMX by Sudarshan Behera
Trainers: Alexandre M.J.J Bonvin, BioExcel
Nandan Haloi, PhD, BioExcel
Adam Hospital, BioExcel
Sudarshan Behera, BioExcel
Contact: ncc@ulakbim.gov.tr
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