Workshops and courses

ELIXIR node event BioExcel summer school on biomolecular simulations 2022

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Date: 12 - 17 June 2022

The summer school 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)
  • Machine learning

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.

You can find more informatioan about the course on the BioExcel website: https://bioexcel.eu/events/bioexcel-summer-school-on-biomolecular-simulations-2022/

Contact: Jane Reynolds - [email protected]

Keywords: Proteins (proteins), Structures (structures), Quantum mechanics/molecular mechanics, QM/MM molecular docking, Metadynamics, Free energy calculations, Molecular docking, Machine learning

Venue: Science and technology park of Sardinia, Edificio 2

Region: Pula

Country: Italy

Postcode: 09010

Organizer: European Bioinformatics Institute (EBI)

Host institutions: Science and technology park of Sardinia

Target audience: The BioExcel school is intended for primarily PhD and post-doctoral researchers 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

Instructors: Adam Hospital, Alessandra Villa, Alexandre Bonvin, Andrea Basciu, Attilio Vittorio Vargiu, Dmitry Morozov, Elisa Fadda, Emiliano Ippoliti, Giuliano Malloci, Irina Moreira, Vytautas Gapsys

Scientific topics: Molecular modelling, Biomolecular simulation, Molecular dynamics

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