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A Protocol for Computer-Based Protein Structure and Function Prediction
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A Protocol for Computer-Based Protein Structure and Function Prediction

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Advances in protein structure prediction and design.

Brian Kuhlman1,2, Philip Bradley3,4

  • 1Department of Biochemistry and Biophysics, University of North Carolina, Chapel Hill, NC, USA. bkuhlman@email.unc.edu.

Nature Reviews. Molecular Cell Biology
|August 17, 2019
PubMed
Summary

Predicting and designing protein structures from amino acid sequences is crucial for understanding protein function and engineering new proteins. Advances in computational biophysics and data-intensive methods are driving progress in this field.

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Area of Science:

  • Computational biophysics
  • Structural biology
  • Protein engineering

Background:

  • Protein structure prediction from amino acid sequence is a long-standing challenge with significant implications.
  • Protein design, the inverse problem, is gaining traction for creating novel proteins with biotechnological and medical applications.

Purpose of the Study:

  • To review current methodologies in protein structure prediction and design.
  • To highlight successful applications of these methods in protein engineering.

Main Methods:

  • Leveraging increased computing power and vast protein sequence/structure databases.
  • Developing data-intensive and computationally demanding algorithms for prediction.
  • Utilizing new algorithms for designing protein folds and interfaces.

Main Results:

  • Dramatic advancements in protein structure prediction and design methods over the past decade.
  • Successful engineering of novel high-order protein assemblies.
  • De novo design of fluorescent and therapeutic signaling proteins with enhanced properties.

Conclusions:

  • Current computational approaches enable significant progress in protein structure prediction and design.
  • These advancements facilitate the rational engineering of proteins for diverse applications.
  • The field holds great promise for biotechnology and medicine.