Predicting molecular interactions in silico: II. Protein-protein and protein-drug docking

Dina Schneidman-Duhovny*, Ruth Nussinov, Haim J. Wolfson

*Corresponding author for this work

Research output: Contribution to journalReview articlepeer-review

73 Scopus citations

Abstract

This article reviews the docking field starting from basic docking algorithms and describing the latest advances. We present the algorithmic framework and classify the state of-the-art methods. We point out the bottlenecks of the methods, like flexibility, absence of absolute scoring functions and explain what types of information can potentially be added to improve the results.

Original languageAmerican English
Pages (from-to)91-107
Number of pages17
JournalCurrent Medicinal Chemistry
Volume11
Issue number1
DOIs
StatePublished - 2004
Externally publishedYes

Keywords

  • Active site detection
  • Biomolecular recognition
  • Computer-aided drug design
  • Flexibility
  • Protein-ligand docking
  • Protein-protein docking

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