EMBL-EBI
BioExcel school on biomolecular simulations
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.
Contact: Marta Lloret Llinares - [email protected]
Keywords: Proteins (proteins), Structures (structures), Quantum mechanics/molecular mechanics, QM/MM, Metadynamics, Free energy calculations, Molecular docking
Organizer: European Bioinformatics Institute (EBI)
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
Event types:
- Workshops and courses
Scientific topics: Biomolecular simulation, Molecular modelling, Molecular dynamics
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