Uncovering Hidden Binding Sites in Challenging Drug Targets
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Proteins are dynamic and can adopt multiple conformational states that are not fully captured by conventional static structural models. Exploring these metastable states may reveal previously hidden binding sites in proteins that appear undruggable in static structures. Identifying these hidden binding sites could expand opportunities for structure-based small molecule discovery, particularly for challenging targets.
In this webinar, explore how an in silico approach using accelerated long-timescale molecular dynamics can map a protein’s conformational landscape and uncover potential binding pockets.
Through an Eotaxin-1 case study, discover how metastable-state analysis, hotspot mapping, and virtual screening can be combined to reveal hidden binding sites and identify functionally active ligands for a target with no known small molecule binders.
Attend this webinar to:
- Understand how in silico approaches for mapping protein conformational landscapes can reveal metastable states not apparent in conventional structural models
- See how potential binding sites within metastable states can be identified and evaluated for small molecule discovery
- Explore a case study using Eotaxin-1 to understand how the approach can be applied to a challenging target with no known small molecule binders
