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

Curr Med Chem. 2004 Jan;11(1):91-107. doi: 10.2174/0929867043456223.

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.

Publication types

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

MeSH terms

  • Algorithms*
  • Computer-Aided Design*
  • Databases, Factual
  • Drug Design*
  • Ligands
  • Protein Conformation
  • Proteins / chemistry*
  • Quantitative Structure-Activity Relationship
  • Receptors, Drug / chemistry*

Substances

  • Ligands
  • Proteins
  • Receptors, Drug