/tools/PocketVina
PocketVina
BIMSBbioinfo/PocketVina
summary
PocketVina is a GPU-accelerated software for protein-ligand docking that automates the detection of binding pockets and evaluates interactions between proteins and ligands. It aims to enhance the accuracy and efficiency of docking processes in drug discovery.
description
GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementation of PocketVina
topics
autodock-gpuautodock-vinadrug-discoverymolecular-biologymolecular-dockingp2rankprotein-ligand-binding-affinityprotein-ligand-dockingprotein-ligand-interactionsquickvinaquickvina-gpu
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