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Developments in integrative modeling with dynamical interfaces.

E Sila Ozdemir1, Ruth Nussinov2, Attila Gursoy3

  • 1Department of Chemical and Biological Engineering, Koc University, Istanbul 34450, Turkey.

Current Opinion in Structural Biology
|November 16, 2018
PubMed
Summary

Modeling dynamic protein-protein interactions (PPIs) and assemblies is challenging. Integrative modeling (IM) advances offer new strategies for predicting these complex biological structures and functions.

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Area of Science:

  • Biochemistry and Molecular Biology
  • Structural Biology
  • Computational Biology

Background:

  • Proteins exhibit dynamic conformational ensembles, particularly at their surfaces, enabling diverse interactions and functions.
  • Modeling specific protein-protein interactions (PPIs) and large protein assemblies is complex due to interface dynamics.

Purpose of the Study:

  • To review challenges and advancements in integrative modeling (IM) of dynamic protein interfaces.
  • To discuss the impact of these advancements on modeling protein assemblies.

Main Methods:

  • Integrative modeling (IM) approaches combining diverse experimental and computational data.
  • Analysis of existing literature on modeling dynamic protein interfaces and assemblies.

Main Results:

  • Dynamic protein interfaces present significant hurdles for accurate modeling.
  • Advancements in IM have overcome some challenges, leading to unexpected improvements in modeling protein assemblies.

Conclusions:

  • Integrative modeling is crucial for understanding dynamic protein interfaces and assemblies.
  • Future advances in IM hold promise for further unraveling complex protein interactions and functions.