InstaDock is a front-end graphical user interface written in Python to perform molecular docking-based virtual high-throughput screening that can be done in just one go. It provides users a single-click interactive platform to perform automated continuous docking of large compound databases against predefined protein targets. It will also help the user to visualize and analyze the results to identify promising lead molecules. InstaDock provides a straightforward graphical user interface and a complete suite to perform molecular docking and high-throughput virtual screening on Windows-based computers.
InstaDock employs a few standard programs for docking, molecular conversion, and visualization purposes, as well as several Python scripts for processing and execution. It automatically detects the receptor and ligand molecules in the directory. After the process, it creates a ‘Result’ folder containing:
- All docked files
- Docking scores
- Top hits
- Their split conformers
- A brief write-up
Various standalone programs available in the ‘Tools’ menu of InstaDock give the user the freedom to perform ‘User-directed Docking’ and other tasks by executing individual programs as described in the original publication (Click here).
You can download InstaDock from the following link:
Please note: Your download will automatically start in 1-3 seconds after clicking the link.
- Windows Defender Alert:
If Windows Defender alerts you about InstaDock during your first download or run, simply allow it by clicking:
More Info → Run Anyway.
This alert is a false recognition since InstaDock is new to Windows Defender.
- Single-Click Docking: Perform high-throughput screening in just one click.
- Automated Docking Process: Automatically detects the receptor and ligand molecules in the directory.
- Result Folder: After docking, a ‘Result’ folder is created with all the docked files, scores, top hits, and more.
- Tools Menu: Provides the option to perform user-directed docking and other tasks via individual programs.
- Easy Visualization and Analysis: Helps you identify promising lead molecules.
If you encounter any issues while downloading or running InstaDock, feel free to contact our support team. Additionally, check for any software updates or patches for InstaDock that may be available.
Thank you for using InstaDock!