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YellowDog Accelerates Drug Discovery from One Year to Less Than One Day with a 162,120 Core Supercomputer, On-Demand

September 21, 2020 / Prnewswire

In drug discovery, as with many of the life sciences, data is key. The size of a dataset and the quality of the analyses has a powerful influence on the success of a given drug development programme. There is great potential for the cloud to aid drug discovery, as it offers companies the ability to dynamically scale their research and analyse more data than they would with their on-premise infrastructure. OMass Therapeutics saw an opportunity to accelerate their virtual screening capabilities by utilising Harvard University's REAL database and YellowDog's multi-cloud workload management solution. With access to an on-demand supercomputer, OMass were able to dock 500 times more virtual compounds, and significantly enrich the top 10% of compounds screened. This top-level analysis enabled OMass to focus their attention on the most likely active molecules for their specific drug target.