Join our webinar on January 19th 2024, to delve into the transformative role of AI in structural biology, spearheaded by AlphaFold2. Discover how this cutting-edge technology is reshaping our approach to protein structures, enhancing knowledge of protein-protein interactions, and leading the way in de novo protein design.

We are thrilled to welcome the following speakers for an enlightening session filled with groundbreaking insights at the forefront of AI applications in structural biology: 

Prof. Arne Elofsson (Stockholm University) -  Towards a Complete Structural Map of the Human Proteome Using AlphaFold 

"How far are we from a complete understanding of protein-protein interactions in a human cell?  

 

 

 

Cellular functions are governed by molecular machines that assemble through protein-protein interactions. Their atomic details are critical to studying their molecular mechanisms. Today the structure of virtually all individual proteins is available from predictions using AlphaFold. However, these predictions are limited to individual chains and do not include interactions. In this talk I will describe our attempts to increase the structural coverage of protein-protein interactions. Today fewer than 5% of hundreds of thousands of human protein interactions have been structurally characterised. We show that combining predictions and experiments can orthogonally confirm higher-confidence models, and using AlphaFold2, we have built 3,137 high-confidence models, of which 1,371 have no homology to a known structure. We are exploring rapid methods to identify protein interaction networks. Finally, we show how the predicted binary complexes can be used to build very larger assemblies using a Monte Carlo Tree search method.

Casper Goverde (EPFL) - Functional design of soluble analogs of integral membrane proteins 

"Deep learning-based tools can be used to push the frontier of complex proteins forwards. Inspired by natural membrane proteins, we show how complex structural and functional features of membrane proteins can be recapitulated in soluble analogs."

 

 

Breakthroughs in the field of computational protein design allows for the design of ever larger and more complex protein folds. However, there is a significant gap that needs to be bridged to reach the complexity and functionality of natural protein folds. The aim of this talk is to show how deep learning-based tools can be used to push the frontier of complex proteins forwards. Inspired by natural membrane proteins such as G-Protein Coupled Receptors and claudins, we show how complex structural and functional features of membrane proteins can be recapitulated in soluble analogs. The expansion of the soluble fold space opens the door to new applications in biotechnology such as novel protein sensors and potentially new drug discovery approaches. 

Dr. Maxim Tsenkov (EMBL-EBI) - Harmonising Structure and Function: An Illumination of the Protein Landscape

 "Join me as we equip you, the scientific community, with the necessary tools and methods to utilise this wealth of data, driving forward discovery and innovation at the crossroads of AI and biology." 

 

 

Artificial intelligence has revolutionised structural biology, extending its reach to a broader scientific audience. At AlphaFold Protein Structure Database, we make these predicted structure models widely accessible, supporting diverse research with tools like Foldseek. This integration allows for deep exploration of the protein universe, enhancing understanding of structure and function. Join me as we equip you, the scientific community, with the necessary tools and methods to utilise this wealth of data, driving forward discovery and innovation at the crossroads of AI and biology.

More information and registration via www.vscentrum.be/events/alphafold-event-3 

LUMI is one of the pan-European pre-exascale supercomputers. It is also the fastest supercomputer in Europe (the Top500 list published in May 2023) and the third fastest globally. 

Would you like compute time on LUMI? You can apply now (deadline: 1 December at 23.59 h CET). 

You can find the application form and detailed instructions at https://www.enccb.be/GettingAccess

Want to know more about LUMI and how it can boost your research?

Researcher Tim Lebailly's quest to revolutionise AI training methods led him to embrace the power of the LUMI supercomputer.

"LUMI is great for Belgium as it allows users to get very large amounts of compute. Currently, I am finishing my allocation on Hortense (Tier-1) in Ghent. To give an example, during the pilot phase on LUMI, I was able to run an experiment over 4 days which is equal to a bit more than my full allocation on Hortense for 8 months! This gives me the opportunity to scale up my research to state-of-the-art neural networks.

Read all about it in this EuroCC user story: https://www.enccb.be/uslumitlebailly 

Our consortium partner, Flemish Supercomputer Center (Vlaams Supercomputer Centrum - VSC), has announced that the Vrije Universiteit Brussel (VUB) will be the proud host and manager of VSC’s next Flemish Tier-1 supercomputer. The new supercomputer represents a significant investment of 12 million euros and will go online in the autumn of 2025. It will be open to all Flemish researchers, companies, and SMEs.

Strategic importance of supercomputing in Flanders

Jo Brouns, the Flemish Minister for Science Policy and Innovation, puts it best:

"Supercomputers are strategically vital for Flanders. This infrastructure empowers our industries, Flemish researchers, and government agencies to tackle the challenges of tomorrow. From accelerating complex calculations to enhancing climate simulations and training AI models, the benefits are boundless. Not to forget, supercomputers played a pivotal role in our fight against COVID-19, aiding in virus spread mapping”

The VSC, which falls under the authority of the Fonds Wetenschappelijk Onderzoek - Vlaanderen (FWO), is a collaboration between the five Flemish university associations. The VSC provides the broad Flemish research community (universities, university colleges, companies) with infrastructure and support to perform large scientific computations. That infrastructure consists of supercomputers, a cloud environment, and large-scale data storage capacity. Based on their capacity, supercomputers are divided into two tiers: Tier-2, of which each university has one in its own data center, and Tier-1, of which there is only one for the whole of Flanders. 

This is the first time the VUB has been allowed to host and manage that Flemish Tier-1 supercomputer. Its predecessor, Hortense, is currently still housed and managed by UGent. 

The new supercomputer will find its home in the Nexus data center at VUB's Green Energy Park site in Zellik. This state-of-the-art facility will be the greenest data center in Belgium This aligns perfectly with VUB's vision of transforming the research park into a thriving innovation campus in Zellik.

More information: https://press.vub.ac.be/vub-zal-de-nieuwe-vlaamse-tier-1-supercomputer-huisvesten-op-haar-green-energy-park-site (VUB press release in Dutch)

The HPC teaching kit is a set of documents and videos for science teachers and students. Today, we present the English version (the French version here; Dutch version will be distributed later this year). These documents can be used as support in a computer science course or distributed directly to students. The kit consists firstly of a 2-part slide deck on HPC (part 1 and part 2), highlighting examples of applications, the Belgian infrastructure, the structure of a supercomputer and the principle of parallelization. A recording of this presentation is also available on YouTube:

It also contains a starting kit: a 2 page document giving all the relevant information for anyone wanting to get started in HPC.

Feel free to distribute these documents to anyone who might be interested. The PowerPoint versions of the slide deck and of the starting kit are also available, on request, for anyone wishing to modify it.

Welcome to the LUMI User Day 2023!

📆 Mark your calendars for November 6th, 2023, as we invite you to join us for an exhilarating on-site event in the heart of Brussels.
The LUMI User Day promises to be a dynamic gathering, and we can't wait to welcome you.

🌐 Whether you're a current LUMI user, hailing from national or international research domains, or a potential user from academia and industry, this day is designed with you in mind. LUMI bridges the gap between the possibilities of supercomputing and the innovation of tomorrow, and we want you to be a part of this transformative journey.

🎤 Our lineup of speakers includes luminaries from the EU Ecosystem, featuring the likes of EuroHPC, PRACE, EuroCC, and, of course, LUMI.
They will share their insights, visions, and innovations that are shaping the future of supercomputing.

🔬 But what truly sets this event apart are the voices of our users. You'll hear firsthand from researchers who have harnessed the power of LUMI and experienced a quantum leap in their work. They'll share stories of how LUMI has made a pivotal difference in their research and outcomes, and why you should consider this powerhouse for your projects.

💼 We also want to extend a warm invitation to the industry. LUMI is not just an academic hub; it's a platform where industry meets innovation. Discover how your organization can leverage LUMI's capabilities to push the boundaries of technology and research and accelerate your journey toward groundbreaking solutions.

Discover the full program of the event and the possibility to register for the event here.

🤝 The LUMI User Day is not just an event; it's an opportunity to connect, collaborate, and create.

Join us on November 6th at 10 am in Brussels, as we come together to explore the limitless possibilities that LUMI offers.

Stay tuned for more updates, and prepare to be a part of something extraordinary. We can't wait to welcome you to the LUMI User Day 2023. See you there!