DockQ

DockQ assesses the quality of modeled biomolecules, including proteins, nucleic acids, and small molecules, by scoring interfaces in model structures against reference structures.

Key Features:

• Automatic chain mapping: Automatically maps chains between model and reference structures with multi-threading support.
• Multiple interface calculations: Performs automatic DockQ calculations for multiple interfaces in large multi-chain complexes.
• Expanded biomolecule support: Scores interfaces between proteins, nucleic acids, and small molecules.
• Python reimplementation: Reimplemented in pure Python for improved portability and speed.

Scientific Applications:

• Protein complex quality assessment: Benchmarks and assesses the performance of protein complex prediction methods by evaluating interface quality.
• Large multimer analysis: Facilitates comparative analyses of large multi-chain complexes through robust multi-interface scoring.
• Cross-molecular interaction scoring: Evaluates interactions between proteins and other molecule types including nucleic acids and small molecules.

Methodology:

DockQ calculates quality measures for modeled biomolecule interfaces against reference structures using automatic chain mapping and multi-threading.