GOLD Docking Study: Linear Peptide Docking
Docking peptide therapeutics with GOLD
Since the first medicinal use of insulin in 1922, peptides have become an increasingly important modality for drugs. 52 peptide-based drugs were approved from 2000-2019, and given their safety, specificity, and predictable metabolism their importance is likely to grow further.
In this white paper we demonstrate the use of the molecular docking tool GOLD to evaluate 184 peptide-protein complexes.
The paper includes:
- Summary of GOLD — how this docking tool works for pose prediction and virtual screening
- Data selection and preparation
- Method, including automation of the docking protocol with the Python API
- Full results and discussion
- Conclusion, including recommended scoring functions when docking peptides with GOLD
Who should read:
- Drug discovery scientists working on peptides
- Drug design teams
- Computational biologists and chemists
Download the white paper here
For virtual screening through to lead optimization – learn more about GOLD.