ELIXIR node event BioExcel School on Biomolecular Simulations

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Date: 25 March - 1 April 2022

The course will include lectures and hands-on sessions on the following topics:

Molecular Dynamics simulations
Biomolecular Docking
Free energy calculations
Advanced sampling methods (Metadynamics)
BioExcel Building Blocks (BioBB)
Quantum mechanics/molecular mechanics (QM/MM)

During the hands-on computer practicals you will make use of the BioExcel flagship software and tools: e.g. GROMACS, HADDOCK, PMX, BioBB, and CP2K. The trainers, developers and/or experts in the use of the software, will provide guidance and support.

Keywords: Proteins (proteins), Structures (structures)

Target audience: The BioExcel school is intended for researchers (primarily PhD and post-docs) using or planning to use biomolecular modeling and simulation in their everyday research. Familiarity with Linux and basic knowledge of molecular modelling software is a requirement.

Capacity: 30

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