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We are pleased to announce the MD Analysis & Machine Learning Workshop, run as part of the MGMS Early Career Workshop Initiative.

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 open to everyone, but places (both in-person and online) are limited.

Apply early using this Google form

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

The MGMS is pleased to announce a call for applications to the MGMS Early Career Workshop Initiative. Applicants are invited for proposals for on-line or in-person workshops or meetings on a topic that is broadly in line with the MGMS’s overall scientific remit, please see website for details of previous meetings for a rough guide. During coronavirus pandemic we encourage virtual initiatives, but when possible, in-person events can be planned (please refer to the UK government guidance).  For more details and application form please visit The MGMS Early Career Workshop Initiative page in Conferences menu, direct link here.

To support postdoctoral and young independent researchers, and to remember MGMS founder member Dr Frank Blaney, the MGMS has established the MGMS Frank Blaney Award (formerly the MGMS Silver Jubilee Award). This is awarded to outstanding young researchers in the field.

We are delighted to announce that the Fourth MGMS Frank Blaney Award has been awarded to Dr. Albert J Kooistra, Dr Albert J Kooistra, an Assistant Professor at the University of Copenhagen, Denmark. Congratulations, Albert.

Awarded for: Figure 5 published in “Investigating molecular mechanism for the stability of ternary systems containing cetrimide, fatty alcohol and water by using computer simulation” by Hoang Dang Vu, Hung Hung Tran, Cao Phuong Cong, Hue Minh Thu Nguyen, Toan T. Nguyen

Published in 2020 in the Journal of Molecular Graphics and Modelling, Vol 95, March 2020, 107500

Awarded for: Figure 5 published in “Investigating molecular mechanism for the stability of ternary systems containing cetrimide, fatty alcohol and water by using computer simulation” by Hoang Dang Vu, Hung Hung Tran, Cao Phuong Cong, Hue Minh Thu Nguyen, Toan T. Nguyen

Published in 2020 in the Journal of Molecular Graphics and Modelling, Vol 95, March 2020, 107500

To support postdoctoral and young independent researchers, and to remember MGMS founder member Dr Frank Blaney, the MGMS has established the MGMS Frank Blaney Award (formerly the MGMS Silver Jubilee Award). This is awarded to outstanding young researchers in the field. 

The call for 2021 nominations can be downloaded here.

The last for submitting nominations is no later than 5th November 2021.

The MGMS is pleased to announce a call for applications to the MGMS Early Career Virtual Workshop Initiative. Applicants are invited for proposals for on-line workshops or meetings on a topic that is broadly in line with the MGMS’s overall scientific remit, please see website for details of previous meetings for a rough guide. Although we do not envisage in person activities before September 2021 (this deadline might be extended depending on pandemic government guidance), we encourage virtual initiatives in the meantime. Applicants should complete the brief application form and a proposed budget. For a one-day virtual workshop, the budget is anticipated to be up to £300, but proposals outside this range will be considered. Applications should come from student groups or early career (within 5 years of their PhD award) researchers in either academia or industry. The deadline for applications is 31st May 2021 and applications should be emailed to the MGMS secretary (secretary@mgms.org). Applications will be notified in June of the outcome.
Download application form now!

Awarded for: Figure 6 published in “Efficient construction of a diverse conformational library for amyloid-β  as an intrinsically disordered protein” by Najmeh Salehi, Mehriar Amininasab, Rohoullah Firouzi, Mohammed Hossein Karimi-Jafari

Published in 2019 in the Journal of Molecular Graphics and Modelling, Vol 88, pp. 183-193