BioExcel Summer School on Biomolecular Simulations


 Sunday 17 Friday 22 June 2018

Application opens: 

Thursday 14 December 2017

Application deadline: 

Friday 30 March 2018


Open application with selection


Charlotte Pearton

Registration fee: 


Registration closed

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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).


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


A detailed programme will be available soon


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

Additional information:

  • BioExcel will be providing a limited number of fixed amount travel bursaries for this event. If you would like to be considered for a travel bursary email Vera Matser ( Eligibility criteria and conditions for the travel grants are available here – BioExcelTravelGrant.
  • Sunday 17th June is arrival only, the first lecture will start on  Monday 18th June (AM)