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Proteins perform many mechanical functions in a cell. These proteins can be classified into two general categories- proteins that generate mechanical forces and proteins that are subjected to mechanical forces. Proteins providing mechanical support to the structure of the cell, such as keratin, are subjected to mechanical force, whereas proteins involved in cell movement and transport of molecules across cell membranes, such as an ion pump, are examples of generating mechanical force. 
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Rapid Assessment of Membrane Protein Quality by Fluorescent Size Exclusion Chromatography
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Improved protein model quality assessments by changing the target function.

Karolis Uziela1, David Menéndez Hurtado1, Nanjiang Shu1,2

  • 1Department of Biochemistry and Biophysics and Science for Life Laboratory, Stockholm University, Solna, Sweden.

Proteins
|March 11, 2018
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Summary
This summary is machine-generated.

We evaluated different target functions for protein model quality prediction. Contact-based methods improve identifying the best models, while S-score best correlates with global quality (GDT_TS).

Keywords:
CASPdeep learningestimation of model accuracymodel quality assessmentsprotein structure prediction

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Area of Science:

  • Computational biology
  • Structural bioinformatics
  • Machine learning in protein science

Background:

  • Protein structure prediction accuracy is crucial for biological research.
  • Protein model quality estimation methods are essential for assessing predicted structures.
  • ProQ has historically used the S-score, a superposition-based target function, for training.

Purpose of the Study:

  • To investigate the impact of different target functions on protein model quality prediction.
  • To compare the performance of contact-based versus superposition-based quality estimation methods.
  • To develop an improved protein quality predictor by integrating local and global quality estimates.

Main Methods:

  • Retraining the ProQ3D predictor with identical inputs but varying target functions.
  • Evaluating contact-based and superposition-based (S-score) quality estimation metrics.
  • Assessing predictor performance using correlation with the GDT_TS score and model identification capabilities.

Main Results:

  • Contact-based quality estimation methods are easier to predict and aid in identifying the best protein models.
  • Predictors trained on contact-based methods show advantages for multi-domain protein targets.
  • Training on the S-score yields the highest correlation with the global GDT_TS score.

Conclusions:

  • Different target functions offer distinct advantages for protein model quality assessment.
  • An updated ProQ3D version integrates local and global quality predictions for comprehensive assessment.
  • Combining insights from various quality estimation methods enhances protein structure prediction evaluation.