This repository contains a tutorial for using AutoDock Vina to dock Purpurogalline to a zinc-dependent beta-lactamase, along with a reference compound. The tutorial guides users through installation, ...

This tool will use Autodock to perform automate molecular docking in batch on Linux system. Prepare you protein thorougly before docking. You can use Protein Preparation tools in Maestro or any other ...

The results are displayed in a table, which are sorted by the calculated binding energy in kcal/mol. Each individual top docking ligand pose can be downloaded in PDBQT format. Additionally, each ...