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

 

Venue

The workshop will be held in the LIDA teaching clusters, Level 11, Worsley building, University of Leeds

 

Registration

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.

 

Programme

The link for participants is here.

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

Accommodation is not provided for this training event and should be arranged separately by the attendee if required.

 

Instructors

Sarah Harris, Christopher Woods, Charlie Laughton

 

Contact

For further information or queries, contact Sarah Harris: This email address is being protected from spambots. You need JavaScript enabled to view it.