Recent advances and challenges in protein complex model accuracy estimation.

Area of Science:

• Computational Biology
• Structural Biology
• Bioinformatics

Background:

• Protein structure prediction is crucial for understanding biological function.
• AlphaFold2 has largely solved single-domain protein structure prediction.
• The focus has shifted to assessing the accuracy of protein complex structures.

Purpose of the Study:

• To provide a comprehensive overview of complex estimation of model accuracy (EMA).
• To review reference and statistical metrics for complex EMA.
• To discuss representative methods and current challenges in complex EMA.

Main Methods:

• Review of existing literature on protein complex accuracy estimation.
• Categorization of metrics into four facets: Topology Global Score, Interface Total Score, Interface Residue-Wise Score, and Tertiary Residue-Wise Score.
• Analysis of current challenges and representative methods in the field.

Main Results:

• Identified key metrics and statistical approaches for complex EMA.
• Highlighted representative methods for evaluating protein complex models.
• Outlined significant challenges in the current landscape of complex EMA.

Conclusions:

• Accurate estimation of model accuracy for protein complexes is a growing area of research.
• Standardized metrics and robust methods are needed for reliable complex EMA.
• Further research is required to address the identified challenges in complex EMA.