MGMS at 40

Friday, 24th September, 2021

9AM ET / 2PM BST / 3PM CET. Online Event


The Molecular Graphics and Modelling Society was formed in 1981 to bring together scientists working in different fields of study who have a common interest in molecular modelling and graphics. This year, to celebrate 40th birthday of the society, we would like to invite you to participate in our half-day interactive event.  This will include presentations from the MGMS founder and the MGMS Frank Blaney award winners. There will be opportunities for poster presentations. During the meeting we will also try to identify major developments in the field in the last 40 years.  Participants with the most important and original entries will win a prize. At the end of the day we will hold the MGMS Annual General Meeting. Everyone is welcome!

Thank you for joining us!


Note: Talk times might change. All times given in UK Time, a.k.a. British Summer Time (BST).

2.00 -2.10 pm Welcome
2.10 – 2.40 pm

MGMS Frank Blaney Award Winner 2018
Christopher Rowley, Department of Chemistry, Carleton University
“Simulating Protein-Ligand Binding with Neural Network Potentials”

Talk video recording

2.40 – 3.10 pm

MGMS Frank Blaney Award Winner 2019
Isidro Cortes, European Bioinformatics Institute, European Molecular Biology Laboratory  (EMBL-EBI)
What is Realistic and What are Illusions in Artificial Intelligence in Drug Discovery? A Discussion on Ways to Impact, and Why We Are Not There Yet

3.10 – 3.40 pm

MGMS Frank Blaney Award Winner 2020
Fernanda Duarte, Department of Chemistry, University of Oxford
Efficient Strategies to Explore Chemical Reactivity

3.40 – 3.50 pm Break
3.50 – 4.30 pm Lightning talks, poster session
4.30 – 5.30 pm

Keynote Speaker
W. Graham Richards, Oxford Drug Design, a founding member of the Molecular Graphics Society (now the MGMS)
“The Origins of the MGMS”

Talk video recording

5.30 – 6.00 pm

MGMS Annual General Meeting

The chair’s annual report can be downloaded here.


Zoom details: we have emailed all registered participants a zoom link needed to join the meeting. If you have not received it please contact us on and we will send it again (several people reported that the email with these details was in their Spam folder, please check there as well). For everyone registering on the event day – we will send you joining details shortly before the event is about to start.

The final MGMSat40 programme can be downloaded here.


Confirmed speakers

Keynote Speaker:

Professor W. Graham Richards, CBE FRS FRSC CChem, Chairperson at Oxford Drug Design, a founding member of the Molecular Graphics Society (now the MGMS)

MGMS Frank Blaney Award Winners

Award year: 2018 Award year: 2019 Award year: 2020
Prof. Christopher Rowley
Department of Chemistry, Carleton University, Canada
Dr Isidro Cortés-Ciriano
EMBL-EBI, Hinxton, Cambridge, UK
Prof. Fernanda Duarte-Gonzalez
Department of Chemistry, University of Oxford, UK

Confirmed poster presenters:

Alex Jamieson-Binnie, School of Chemistry, University of Bristol (UK)

Charmaine Chu, Department of Chemistry, University of Liverpool (UK)

Stefania Monteleone, Research Informatics, Evotec (UK)

Blaine Mooers, University of Oklahoma Health Sciences Center (USA)

Atanas Patronov, Discovery Sciences Molecular AI Team, Astra Zeneca (Sweden)

Rachael M. E. Pirie, Cole Research Group, Newcastle University (UK)

David J. Ponting, Lhasa Limited (UK)

Thomas Steinbrecher, Applications Science, Schrödinger (Germany)


Competition: “Major Developments in the Last 40 Years”

As part of the “MGMS at 40” celebration, we would like to invite you to take part in identifying a major algorithm, methodology and/or software development (such as SMILES, GPU-accelerated computer simulations, AI-based small molecule design, …) in the past 40 years that made a broad impact in the field. Please use the form below to send us up to three highlights in your view, preferably with a short rationale. We will be pulling the common themes and putting them together for an interactive event during the meeting. Participants will also have the chance of winning a special gift from the MGMS. 

Present a Poster

The presentation of posters is very much encouraged from both academic and industrial presenters. Each of the poster presenters will be given 2 minutes for a Lightning Talk (and one static slide to be provided in advance to the organisers) to promote their poster and try to tempt people to visit and read it.

Abstracts should be submitted by 31st August, 2021.

A template for Abstracts can be downloaded in Word or PDF formats.


For more information contact the MGMS Secretary.

Sponsors and Partners


The meeting is free but registration is required, as numbers are limited to 500 attendees. To register, please complete this online form: