Predict protein-ligand and catalytic pockets and perform molecular docking of a specific ligand to each predicted pocket.

A pocket volume analyzer for use in protein modeling.

Ligand Binding Site detection using Deep Learning

Protein Pocket Detection with Geometry Features and Hierarchy.

P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.

fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and extract pocket descriptors on a large scale level. fpocket is distributed as free open source software.

A Molecular Topography MultiToolkit designed to simplify and streamline the detection, analysis, and characterization of protein pockets, cavities, channels, and binding sites.

Detect and characterize binding pockets from molecular simulations.

Cryptic binding pocket discovery from conformational ensembles. Open-source, reproducible, size-robust benchmarks against fpocket, PocketMiner and CryptoBench.

GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementation of PocketVina