Past Events

8th Annual CCPBioSim Conference - Frontiers in Biomolecular Simulation 2022
From Monday 06 June 2022
To Wednesday 08 June 2022

CCPBioSim and the conference organising committee are delighted to be able to invite you to:

The 8th Annual CCPBioSim Conference - Frontiers in Biomolecular Simulation 2022

This year’s conference has the theme of machine learning. In addition, there will be many exciting talks from our guest speakers on current topics in biomolecular simulation. The conference will showcase recent advances in technology, theory, and methodology that are impacting on the power and significance of biomolecular simulation as a technique for addressing important biological problems.

The conference will be held in a hybrid format with digital links available for those attending virtually, but we encourage those who are able to attend in person for the valuable networking experience it offers (and also coffee breaks and a conference dinner!). We look forward to seeing you in Edinburgh!


The conference will be taking place at the John McIntyre Conference Centre at the University of Edinburgh.

Invited Speakers

Prof Giovanni Bussi, SISSA, Physics and Chemistry of Biological Systems, Italy
Dr Alpha Lee, Unversity of Cambridge, UK
Dr Christopher Wood, University of Edinburgh, UK
Prof Lucie Delemotte, KTH Royal Institute of Technology, Sweden
Prof Frank Noé, Freie Universität Berlin, Germany
Dr Elisa Fadda, Maynooth University, Ireland
Dr Joe Greener, MRC Laboratory of Molecular Biology, UK


Online Registration is open until: 30 May 2022
Abstract submission deadline: 25 April 2022
Final registration deadline: 09 May 2022
Student registration fee: £225
Full registration fee: £275
Online only fee: £10

Contributed Oral or Poster Presentations

We invite all participants to submit an abstract for oral and poster contributions. Please use this template to prepare your abstract, and sent your abstract together with an indication of whether you want to be considered for an oral or poster contribution to This email address is being protected from spambots. You need JavaScript enabled to view it.. There are a number of contributed talk slots available, and posters will be on display during the whole conference, with poster sessions taking place on both evenings. Instructions for submitting abstracts will be included in the confirmation email at the point of registration. Please note that oral contributions can be presented online, but our poster session will be taking place in person. So if you plan to attend online, your abstract will be considered only as an oral presentation. All selected contributing speakers will be notified in advance.


Click here to download the conference programme


Accommodation is not provided for this conference and should be arranged separately by the attendee. Several hotels are conveniently located close to the conference venue (Salisbury Green Hotel, Richmond Place Apartments, KM Central).

MD Analysis & Machine Learning Workshop

In collaboration with CCPBioSim, we are pleased to announce a 2-day hybrid (in-person/online) workshop titled “MDAnalysis and Machine Learning for Molecular Simulations” hosted by the University of Edinburgh on the 9-10th of June 2022, immediately following the 8th Annual CCPBioSim Conference

The workshop will include both lecture and practical portions. We will cover topics including:

  • The fundamentals and basics of MDAnalysis
  • How to get started with machine learning and tools such as scikit-learn
  • How to use MDAnalysis in conjunction with machine learning
  • Applying these tools to your own research projects

The workshop is aimed at users in academia and industry who are already familiar with Python and molecular dynamics. Expert users and developers of machine learning tools and the MDAnalysis library will be present to help you during practical sessions and to answer your questions about how to integrate these tools into your workflows. We will also be holding office hours for extended tutoring – ask us for help with your own data!

The workshop is now fully booked.

The organising team is committed to diversity and inclusivity. Individuals belonging to underrepresented and marginalised groups in STEM/Software development are particularly encouraged to apply.*

*Women, non-binary, LGBTQIA+ individuals, Black, Asian and minority ethnic communities or traveller communities

Organising Committee

Dr Julien Michel, University of Edinburgh, Chair
Prof Franca Fraternali, Kings College London
Dr Adrian Bunzel, University of Bristol
Dr Antonia Mey, University of Edinburgh
Dr Benjamin Hanson, University of Leeds


This email address is being protected from spambots. You need JavaScript enabled to view it.

About CCPBioSim

CCPBioSim is an inclusive wide-ranging project, bringing together chemists, physicists and chemical engineers as well as researchers from all branches of ‘molecule-oriented’ biochemistry and biology. Our aim is to involve experimentalists and computational specialists, sharing the belief that the best science can be done when theory and experiment are closely integrated. CCPBioSim develops and provides training and tools to lower the barrier to non-experts becoming proficient and productive users of biomolecular simulation techniques. We also work to develop and apply advanced methods.