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Computational Analysis for Protein Structure and Interaction

This special issue belongs to the section “Bioorganic Chemistry“.

Special Issue Information

Dear Colleagues,

Protein structure analysis is a hot topic and key issue in organic chemistry and molecular biology research. Several essential protein molecules were rebuilt with Cryo-EM (Cryo-Electron Microscopy) and their structures were published in Nature and Science. Computational structure analysis and prediction is a key process for the 3D structure reconstruction. Machine learning techniques have been employed for protein secondary and tertiary structure prediction for a long time, and it seemed to have reached a bottleneck. However, the development of the Cryo-EM technique brings new challenges and requirements to computer science. Additionally, deep learning in machine learning also seems to be powerful. Therefore, there is considerable and increasing interest in developing computational methods for protein structure analysis and prediction. Moreover, new techniques on structure could also facilitate protein–protein interaction research.

The Guest Editor looks forward to collecting a set of recent advances in the related topics, to provide a platform for researchers, and bridge the gap between computer researchers and structural chemistry researchers.

Prof. Dr. Quan Zou
Guest Editor

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Keywords

  • protein structure prediction
  • protein&ndash
  • protein interaction network
  • Cryo-EM molecule particles boxing
  • Cryo-EM image process
  • machine learning
  • protein disorder region
  • docking
  • protein inter-residue contacts prediction

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Molecules - ISSN 1420-3049