Getting started with biomolecular simulations
Event Date/s: From Thursday 10 January 2019
To Friday 11 January 2019
This is a basic workshop on biomolecular simulation aimed at beginners, but all levels of expertise are warmly welcome.
We will provisionally have 4 sessions;
1) Using VMD to visualise protein structures
2) Validating your protein structures for simulation
3) Running a biomolecular simulation in the Cloud using BioSimSpace
4) Analysis of MD trajectories with Jupyter Notebooks
The workshop will be held in the LIDA teaching clusters, Level 11, Worsley building, University of Leeds
You can now register here.
The registration deadline is 3 January 2019 but early registration is advised as places are limited.
Space Available - 40
Fee - There is no registration fee for this workshop.
Thursday 10th January
- 10.30 - 11.00 : Welcome and introductions (plus logging onto the computers)
- 11.00 - 12.30 : Using VMD to visualise protein structures
- 12.30 - 13.30 : Lunch
- 13.30 - 15.00 : Setting up and Running Molecular Dynamics Simulations: Good Practice and Pitfalls
- 15.00 - 15.30 : Break
- 15.30 - 17.00 : Introduction to Jupyter Notebooks and Python
Friday 11th January
- 10.00 - 12.00 : Introduction to BioSimSpace
- 12.00 - 13.00 : Lunch
- 13.00 - 15.30 : Analysis of MD trajectories
Accommodation is not provided for this training event and should be arranged separately by the attendee if required.
Sarah Harris, Christopher Woods, Charlie Laughton