GOLD Study: Docking Small Molecules to Nucleic Acid Targets
Docking to Nucleic Acid Targets with GOLD
Nucleic acids, DNA and RNA, can be the target for small molecule drugs in a range of areas, including cancer and antivirals.
In this white paper we compare the performance of various scoring functions in GOLD when docking small molecules to various nucleic acid forms; double stranded DNA and RNA, and G-quadruplex DNA and RNA.
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 for this type of work
Who should read:
- Drug discovery scientists working on nucleic acid targets
- Drug design teams
- Computational biologists and chemists
Download the White Paper Here
For virtual screening through to lead optimization – learn more about GOLD.