Abstract
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 language | English |
|---|---|
| Pages (from-to) | 2289-2306 |
| Number of pages | 18 |
| Journal | Frontiers in Bioscience |
| Volume | 16 |
| Issue number | 6 |
| DOIs | |
| Publication status | Published - 1 Jun 2011 |
| Externally published | Yes |
Keywords
- 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