Discngine Labs Live - Cambridge, UK

Setting New Standards in SBDD: Experimental and Predicted Protein Structure Synergies

March 19th, 2025

4:00 pm - 8:00 pm (GMT)

Churchill College, Cambridge, UK (and Virtual)

Join us to celebrate the 10th Special Edition of Discngine Labs — Discngine’s free event series on early drug discovery - now being held in person for the very first time in Cambridge, UK!

Seize the opportunity to explore the synergies between computational predictions and experimental datasets in structure-based drug discovery (SBDD).

Don’t miss the chance to gain first-hand insights and connect with industry and academia peers to drive innovation in the field.

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About the event

Recent advancements in AI/ML-driven technologies for protein structure prediction offer transformative potential to accelerate drug discovery. With the rapid increase in the number and complexity of 3D protein structures, it is essential to efficiently integrate predicted and experimental datasets to enable their synergistic use and harness new structural knowledge for drug discovery.

At this dynamic gathering, leading industry experts will share knowledge and experience on the potential and pitfalls of using AI structural models and how they complement experimental data to drive more efficient SBDD projects.

By participating in this event, you will:

Discover strategies to efficiently gain actionable insights by integrating experimental and computationally predicted 3D protein or protein complex structures
Explore novel technologies that seamlessly combine predicted structural models with experimental data to optimize SBDD workflows
Examine the impact of predicted AI models on compound design and optimization, including their accuracy, current limitations, and future potential
Network with peers and meet the speakers from industry and academia in a casual setting over refreshments

Meet the Speakers

Darren Green, PhD

Director at DesignPlus Cheminformatics Consultants Ltd

Lorena Zara, PhD

Scientific Project Manager at Discngine

Dave Brown, PhD

Senior Director Structural Biology and Biophysics at Vertex Pharmaceuticals

Sarah Witzke, PhD

Senior Applications Scientist at Chemical Computing Group

Ben Davis, PhD

Research Fellow and Director of Business Development at Vernalis

Benoit Baillif, PhD

Research Associate at Astex Pharmaceuticals

More speakers to be announced

Agenda

    
                Time (GMT)
                Session
            
                4:00 – 4:15 pm
                Welcome Reception
              
                4:15 – 4:45 pm
                Plenary talk: Darren Green, PhD 
Optimizing the Impact of Protein Structure Information on Next-Generation Drug Discovery
            
                4:45 – 5:00 pm
                Presentation: Lorena Zara, PhD 
Integration of AI derived and experimental structural insights with 3decision
            
                5:00 – 5:45 pm
                Roundtable: David Brown, PhD (chair), Sarah Witzke, PhD, Ben Davis, PhD, Benoit Baillif, PhD 
Potential and pitfalls of using computational predictions to drive structure-based drug design
            
                From 5:45 pm
                Networking Reception