With advancements in cloud computing, and the availability of large and high-quality datasets of potential ligands, it is now possible to perform virtual screening studies at ultra-high-throughput scale whilst incurring only modest costs.
This whitepaper details how GOLD, a comprehensively validated and widely used docking software, was used to perform a virtual screen on cloud resources.
Download the whitepaper to learn:
- How to run ultra-large GOLD docking projects on standard cloud computing environments.
- The methods and cloud environment used to perform the virtual screen.
- The time and cost of the 126 million ligand screen performed in this work.
- The ability of GOLD to return known ligands seeded in the dataset to assess enrichment.
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