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).

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:

• Online application
• A Microsoft Word (.docx) document containing three short paragraphs with a biography, work history and description of your current research interests; each paragraph should be no more than 100 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 £365 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. Eligibility criteria and conditions for the travel grants are available here – BioExcelTravelGrant.