Synopsis

New to Structure-Based Drug Design? Looking to deepen your understanding or refresh your knowledge? The SBD101 Workshop is a brand-new addition designed to equip attendees with the essential principles and practical foundations of structurebased drug design. This workshop is the perfect introduction—or refresher—ahead of the main scientific program.

Join industry experts and emerging leaders as they provide a comprehensive overview of SBDD strategies, tools, and techniques. From fundamental concepts to the latest advancements driving the field, this session will set the stage for engaging discussions during the conference days.

Highlights include:

• Learn the principles and tools, including molecular docking, crystallography, and computational modeling, that drive target and drug design strategies
• Understand how to leverage protein-ligand interactions, 3D structural insights, and dynamic simulations to optimize lead compounds effectively
• Hear real-world examples demonstrating how SBDD accelerates early drug discovery and addresses complex challenges in hit-to-lead optimization

Whether you’re transitioning into SBDD, seeking to broaden your expertise, or preparing to apply these methods in your work, this workshop is your go-to resource for building confidence in structure-based drug design.

Synopsis

Looking to explore the exciting intersection of artificial intelligence and structure-based drug design? This session deep dives into exploring the use of generative AI in designing new protein structures to advance drug design and discovery. Whether

you’re new to the concept or looking to deepen your understanding, this workshop will provide an in-depth look at the current challenges and groundbreaking promise of generative AI for SBDD.

Join leading experts in AI, structural biology, and drug design sharing insights on both theoretical and practical perspectives on how generative AI is reshaping the future of drug discovery.

Highlights include:

• Learn how AI is being used to design de novo protein structures and how it has the potential to unlock novel drug targets and therapeutic strategies
• Explore the limitations of current AI models like AlphaFold 2, and discuss strategies for enhancing AI predictions to address complex protein structures that remain unsolved
• Delve into how generative AI can be integrated with experimental validation cycles to ensure the accuracy and reliability of AI-generated structures. Understand how this integration is crucial for improving drug hit rates and therapeutic development
• Gain insights into where generative AI is most effective in protein design and where further development is needed, especially in areas like protein flexibility, multiprotein complexes, and the prediction of small molecule interactions

Whether you’re looking to get up to speed on generative AI in drug discovery or refine your understanding of this rapidly advancing technology, this workshop will equip you with the tools and knowledge to stay at the forefront of structural biology and AI integration.

Synopsis

Curious about Cryo-Electron Tomography (Cryo-ET) and its transformative potential in structure-based drug design? This unmissable session is designed to introduce you to the cutting-edge capabilities of Cryo-ET and its role in advancing structural

biology and drug discovery. As Cryo-ET rapidly emerges as a game-changing tool for visualizing biomolecular structures, this session will provide the foundational knowledge needed to understand and leverage its potential.

Join leading experts as they unravel the principles, applications, and future opportunities of Cryo-ET. From its use in visualizing complex biomolecular assemblies to its integration with computational modeling and drug design strategies, this workshop will give you the tools to unlock Cryo-ET’s potential in your research and accelerate your structure-based drug design projects.

Highlights include:

• Gain a clear understanding of how Cryo-ET works, from sample preparation to image acquisition and data interpretation
• Learn how Cryo-ET provides atomic-level insights into dynamic protein complexes and facilitates the design of more effective therapeutics
• Discover practical applications and breakthroughs showcasing Cryo-ET’s critical role in tackling drug discovery challenges

Whether you’re looking to integrate Cryo-ET into your structure-based drug design workflow, stay ahead of emerging technologies, or explore its potential for unveiling novel therapeutic targets, this workshop is an unmissable opportunity to expand your expertise.