Computational structure modeling for diverse categories of macromolecular interactions

Curr Opin Struct Biol. 2020 Oct:64:1-8. doi: 10.1016/ Epub 2020 Jun 27.


Computational protein-protein docking is one of the most intensively studied topics in structural bioinformatics. The field has made substantial progress through over three decades of development. The development began with methods for rigid-body docking of two proteins, which have now been extended in different directions to cover the various macromolecular interactions observed in a cell. Here, we overview the recent developments of the variations of docking methods, including multiple protein docking, peptide-protein docking, and disordered protein docking methods.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.
  • Review

MeSH terms

  • Computational Biology*
  • Macromolecular Substances / metabolism
  • Molecular Docking Simulation
  • Peptides / metabolism
  • Protein Binding
  • Proteins* / metabolism
  • Software


  • Macromolecular Substances
  • Peptides
  • Proteins