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Updated: Jun 22, 2026

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A Protocol for Computer-Based Protein Structure and Function Prediction
Published on: November 3, 2011
Quality assessment of protein structure models
Daisuke Kihara1, Hao Chen, Yifeng David Yang
1Department of Biological Sciences, College of Science, Purdue University, West Lafayette, IN 47907, USA. dkihara@purdue.edu
Current Protein & Peptide Science
|June 13, 2009
Summary
Predicting protein structure accuracy is vital for drug design. This review covers protein structure prediction methods, error sources, and model quality assessment programs (MQAPs) for evaluating predicted structures.
Area of Science:
- Computational biology
- Structural bioinformatics
- Biochemistry
Background:
- Protein tertiary structure prediction has advanced significantly.
- Assessing the accuracy of predicted protein structures remains challenging.
- Accurate quality assessment is crucial for practical applications like drug design.
Purpose of the Study:
- To review current protein structure prediction methods and their error sources.
- To classify and discuss existing model quality assessment programs (MQAPs).
- To highlight the importance of MQAPs for practical applications.
Main Methods:
- Review of current protein structure prediction techniques.
- Classification of MQAPs based on their evaluation strategies.
- Discussion of MQAP categories: alignment quality, stereochemical evaluation, and composite scoring.
Main Results:
- Identified key error sources in protein structure prediction.
- Categorized MQAPs into distinct groups based on their methodologies.
- Demonstrated the utility of various MQAPs in assessing global and local accuracy.
Conclusions:
- Accurate protein structure prediction quality assessment is essential for biochemical and drug design.
- MQAPs offer valuable tools for evaluating predicted protein models.
- Further development and application of MQAPs will enhance the utility of computational predictions.
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