This repository provides an automated docking solution for ligands and receptor proteins using AutoDock Vina and P2Rank. It supports high-throughput docking workflows and integrates seamlessly with ...
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This repository documents a structure-based molecular docking study performed using AutoDock Vina to investigate the binding of the small-molecule ligand ML346 (PDB ligand code: 5TI) with the protein ...
Abstract: AutoDock Vina (Vina) is a widely adopted molecular docking tool, often regarded as a standard or used as a baseline in numerous studies. However, its computational process is highly ...