Ultra-Large GOLD Docking on Cloud Resources
Structure-based docking screens of large compound libraries are vital in early-phase drug discovery. Advancements in cloud computing and the availability of large, high-quality datasets now make it possible to perform virtual screening studies at an ultra-high-throughput scale while incurring only modest costs.
We recently tested the robustness of our docking package, GOLD, on cloud-based resources with a docking run of about 130 million compounds. We successfully docked about 3.85 million molecules per hour.
Download the whitepaper to learn about our costs and methods, as well as:
- How GOLD docking performed at an ultra-large scale on standard, cloud-computing environments.
- How our recommended methods ensure secure job communication.
- What scripts, support, and other user documentation we provide to help ensure your success.