UDock2

UDock2 performs multi-body protein–protein docking to predict the geometry of protein interactions and explore conformational spaces using real-time docking with on-the-fly scoring.

Key Features:

• Multi-body docking: Supports docking of multiple protein partners to model multi-component interfaces.
• Interaction geometry prediction: Predicts the geometry of protein–protein interactions for analysis of interfaces.
• Conformational space exploration: Enables exploration of conformational spaces of protein interfaces.
• Real-time docking and on-the-fly scoring: Executes a real-time docking procedure with on-the-fly scoring of poses.
• Visualization via computer graphics: Integrates traditional computer graphics methods to visualize protein surfaces, interfaces, and properties.
• Complementarity with automated docking software: Provides capabilities intended to complement automated docking workflows.

Scientific Applications:

• Mechanistic studies: Predicts interaction geometries to aid understanding of mechanisms underlying biological processes.
• Drug discovery: Supports development of strategies in drug discovery through modeling of protein–protein interfaces.

Methodology:

Real-time docking procedure with on-the-fly scoring, exploration of conformational spaces, and integration of traditional computer graphics methods for visualization.