Webinar: From Prediction to Decision:
Streamlining Binding Affinity Workflows

About this session

A webinar with Hyesu Jang, Ph.D, Lead Scientific Developer

Relative binding free energy (RBFE) methods can provide valuable guidance for compound prioritization; the challenge is balancing accuracy, cost, and turnaround time.

In this webinar Dr. Jang explores how FE-NES delivers RBFE calculations that scale to the thousands and beyond. By leveraging efficient sampling and massive parallelization in Orion®, FE-NES enables teams to generate binding affinity predictions fast enough to support iterative design cycles and rapid decision-making.

What you'll learn

• How FE-NES uses non-equilibrium switching to increase the throughput of RBFE calculations while maintaining competitive accuracy.
• Strategies for further accelerating affinity prediction with Rapid FE-NES.
• A case study on the Tyk2 kinase illustrating how FE-NES integrates with other tools to iteratively design more potent analogs of hits from screening.