Webinar: Target X: An Unobstructed View of Pockets

About this session

Understanding how and where small molecules bind to protein pockets provides vital information for efficient design and establishing a defensible IP position. Having a complete picture of protein-ligand binding requires going beyond static structures, in which key pockets may not be apparent.

In this webinar, we introduce Target X, a method that combines enhanced sampling with data-driven modeling to provide a more complete view of protein pocket landscapes from a single apo structure.

Target X enables:

• Identification of both known and previously unobserved binding sites
• Reliable assessment of ligandability
• Generation of conformations suitable for virtual screening

The approach demonstrates strong performance across diverse systems, along with improved robustness through the use of carefully curated, non-redundant training data. We will highlight applications in systems such as KRas and NKG2D and discuss how Target X supports structure-based drug design from early target understanding through screening.