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, CP2K).

Who is this course for?

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.

What will I learn?

Learning outcomes

After this course you should be able to:

• Use a range of biomolecular modeling and simulation software (GROMACS, HADDOCK, PMX, CP2K)
• Discuss current trends and challenges in biomolecular simulation

Trainers

To register you will need to submit the following information:

• Basic details
• Short biography and motivation statement on why you want to attend this course (limit: 200 words)
• Support letter from supervisor or senior co-worker explaining why you should be selected for this course
• Poster abstract (limit: 250 words – if selected you will have a chance to update your poster abstract)

The registration fee of £394 includes the following:

• 5 nights shared accommodation 
• All meals
• Transport to/from airport (one shuttle bus) and daily transport from hotel to course venue

• 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 Michelle Mendonca (mmendonca@ebi.ac.uk). Eligibility criteria and conditions for the travel grants are available here – BioExcelTravelGrant.
• Sunday 30th June is arrival only, the first lecture will start on Monday 1st July (AM)