Protein-ligand docking

Giovanni Bottegoni*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

18 Citations (Scopus)


Ligand-docking is an established computational technique universally applied in structure-based drug design. Since the first attempts carried out in the early '80s to predict the three-dimensional conformation of a proteinligand bound complex, this methodology has evolved constantly and it is presently implemented in many different ways. The present study aims at explaining the standard protein-ligand docking protocol, together with its main advantages and drawbacks. Milestone reports and future directions are reported and discussed as well.

Original languageEnglish
Pages (from-to)2289-2306
Number of pages18
JournalFrontiers in Bioscience
Issue number6
Publication statusPublished - 1 Jun 2011
Externally publishedYes


  • Consensus scoring
  • Cross docking
  • Docking
  • Ensemble docking
  • Ligand docking
  • MRC
  • Protein docking
  • Receptor
  • Receptor flexibility
  • Review
  • Scoring function
  • Structure-based drug design

ASJC Scopus subject areas

  • General Biochemistry,Genetics and Molecular Biology
  • General Immunology and Microbiology


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