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.
New to GOLD? Our comprehensively validated docking software is trusted by scientists around the world.