PockFlex

PockFlex is a web server designed to track and cluster pockets across structural ensembles, thereby defining each binding site as a cluster of pockets and enabling their characterisation and prioritisation.

Whether derived from molecular dynamics simulations, multiple experimental structures, or high-confidence AlphaFold predictions, PockFlex detects pockets, tracks their temporal or conformational variability, and clusters them based on residue similarity.
It distinguishes transient versus persistent pocket regions, assesses residue stability and flexibility, and quantifies druggability potential.
The server provides interactive, residue-level insights into pocket dynamics and druggability for any protein structural ensemble.

Open Access: This website is free and open to all users and there is no login requirement.