About UniDock GUI
Simplifying GPU-accelerated molecular docking for researchers
What is Uni-Dock?
Uni-Dock is a high-performance molecular docking program that leverages the power of GPUs to accelerate the docking process by up to 2000 times compared to traditional CPU-based methods. It supports popular scoring functions like vina, vinardo, and ad4.
Uni-Dock is part of the DeepModeling community and is designed for high-throughput virtual screening and molecular docking simulations.
Key Features
Everything you need for efficient molecular docking
Easy-to-use Interface
Simplifies the process of setting up and running docking simulations with Uni-Dock through an intuitive graphical interface.
Input File Management
Easily load and manage receptor and ligand files with support for common molecular file formats.
Interactive Configuration
Set up docking parameters including search space, scoring function (vina, vinardo, ad4), and other advanced options.
Job Monitoring
Monitor the progress of your docking jobs in real-time with detailed status updates and progress indicators.
GPU Acceleration
Leverage NVIDIA GPU computing power for up to 2000x faster docking compared to traditional CPU-based methods.
Results Analysis
View and analyze docking results with binding poses and affinity scores for informed decision making.
Supported Scoring Functions
Choose the right scoring function for your research
Vina
The classic AutoDock Vina scoring function, widely used and validated for molecular docking studies.
Vinardo
An improved scoring function with better accuracy for certain protein-ligand interactions.
AD4
AutoDock 4 scoring function for compatibility with legacy workflows and specific use cases.
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