The Human Omnibus of Targetable Pockets.

ABSTRACT: Hundreds of computational methods for predicting ligand binding pockets exist, but the problem of finding druggable pockets throughout the human proteome persists. Different strategies for pocket-finding excel in different use cases. Ensemble models that leverage multiple different pocket-finding strategies can best capture diverse pockets at scale. Despite this, no publicly available human-proteome-wide datasets of pocket predictions from multiple pocket-finding methods exist. We present the Human Omnibus of Targetable Pockets (HOTPocket), a dataset of over 2.4 million predicted pockets over the entire human proteome that utilizes both experimentally-determined and computationally-predicted protein structures. We assembled this dataset by running seven diverse, established pocket-finding

SUBMITTER: Carpenter KA 

PROVIDER: S-EPMC12729103 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature