Advancing Computational Drug Design: New Mathematical approaches from Multiscale to AI (26w5553)

The Banff International Research Station will host the "Advancing Computational Drug Design: New Mathematical approaches from Multiscale to AI" workshop in Banff from May 3 to May 8, 2026.

The landscape of drug design is rapidly evolving, with computational methods and artificial intelligence (AI) playing an increasingly important role. This workshop aims to explore cutting-edge mathematical approaches that are transforming the field of computational drug design. We will delve into multiscale modeling techniques that bridge the gap between molecular and macroscopic levels, providing a comprehensive understanding of drug interactions and dynamics. Additionally, we will highlight the integration of generative AI and machine learning (ML) algorithms in predicting drug efficacy, optimizing molecular structure, speeding up drug repurposing, understanding potential toxicity, and thus accelerating the drug discovery and development process. By bringing together diverse experts from academia, industry, and innovation support organizations, and adding early career researchers to the mix, this workshop will foster interdisciplinary collaboration and innovation. Participants will gain insights into the latest developments, discuss challenges, and explore future opportunities in the quest for more effective and efficient drug design.

The value this event brings will include the following:

- Emphasis on Practical Mathematical Applications in Drug Design
- Interdisciplinary Collaboration
- Focus on Emerging Technologies
- Addressing Industry-Specific Challenges and Bottlenecks
- Integration with Commercialization Strategy and Financing Opportunities

Combination of Keynote Speakers’ presentations with Panel Discussions and Hands-on Training.

The Banff International Research Station for Mathematical Innovation and Discovery (BIRS) is a collaborative Canada-US-Mexico venture that provides an environment for creative interaction as well as the exchange of ideas, knowledge, and methods within the Mathematical Sciences, with related disciplines and with industry. The research station is located at The Banff Centre in Alberta and is supported by Canada's Natural Science and Engineering Research Council (NSERC), the U.S. National Science Foundation (NSF) and Alberta's Technology and Innovation.