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

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

Research output: Contribution to journalReview articlepeer-review

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. All rights reserved -

Original languageEnglish
Pages (from-to)585-613
Number of pages29
JournalFrontiers in Medicinal Chemistry
Volume3
Issue number1
StatePublished - Jan 2006

Keywords

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

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