BioExcel Summer School on Biomolecular Simulations

21 March 2018

Sunday 17–Friday 22 June 2018

Course Overview

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

  • Molecular Dynamics simulations
  • Biomolecular Docking
  • QM/MM
  • Free energy calculations
  • Advanced sampling methods (metadynamics)

During the hands-on computer practicals you will work on a use case integrating the various topics above making use, among others, of the BioExcel flagship software (Gromacs, HADDOCK, PMX, CPMD).

Audience

The summer 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 some basic knowledge of molecular modelling software is a requirement.

Learning outcomes

After this course you should be able to:

  • Use a range of biomolecular modeling and simulation software (GROMACS, HADDOCK, PMX, CPMD)
  • Discuss current trends and challenges in biomolecular simulation
  • Programme

A detailed programme will be available soon

The summer school will include a poster session for participants to present their own research.

Events

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August 2020
 

Contact

Tracy Peet
+44 (0) 131 650 5362
t.peet@epcc.ed.ac.uk

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