Docking

Estimate binding affinity with molecular docking tools

📄️ Autodock

AutoDock is a software tool that predicts how small molecules, like drugs, bind to a receptor with a known 3D structure. More about AutoDock.

📄️ Unidock

UniDock is a fast, GPU-accelerated molecular docking program that is part of DeepModeling AI for the science community. It supports various scoring functions. More about UniDock.