Molecular visualization in the rational drug design process

Front Biosci (Landmark Ed). 2009 Jan 1;14:2559-83. doi: 10.2741/3398.


The visualization of molecular scenarios on an atomic level can help to interpret experimental and theoretical findings. This is demonstrated in this review article with the specific field of drug design. State-of-the-art visualization techniques are described and applied to the different stages of the rational design process. Numerous examples from the literature, in which visualization was used as a major tool in the data analysis and interpretation, are provided to show that images are not only useful for drawing the attention of the reader to a specific paper in a scientific journal.

MeSH terms

  • Binding Sites
  • Drug Design*
  • Ligands
  • Protein Conformation
  • Proteins / chemistry
  • Proteins / metabolism


  • Ligands
  • Proteins