Integrating the Structural Biology Toolbox: Designing Fit-for-Purpose Workflows in Modern Drug Discovery

As structural biology capabilities expand, drug discovery teams face a more complex challenge: not just generating structures, but deciding which structural and biophysical methods to deploy, when, and for what decision impact.

 

This interactive workshop moves beyond technique comparison to explore how X-ray crystallography, cryo-EM, cryo-ET, NMR, HDX-MS, native MS, SPR, ITC, and computational modelling integrate into coherent, decision-driving workflows.

 

Participants will examine how teams balance resolution, cost, speed, and interpretability

while ensuring structural outputs meaningfully inform molecule design, modality selection, and candidate advancement.

 

Workshop Highlights:

  • Explore real-world case studies to learn how other teams integrate structural, biophysical, and computational data streams to manage conformational heterogeneity, validate binding hypotheses, and ensure experimental outputs are fit-for-purpose within discovery programs
  • Exploring how X-ray, cryo-EM, NMR, HDX-MS, native MS, SPR/ITC and modelling outputs can be combined into a cohesive workflow that strengthens confidence in binding mode, mechanism, and optimization strategy
  • Understanding the value proposition of different discovery teams and how they can best support each other to drive efficiency in discovery workflows