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

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'sREAL 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.

With a refined list of 477 million molecules for virtual screening, YellowDog delivered:

The outcomes are outstanding:

The radical order change in the number of molecular docking analyses that are carried out at this early stage will help to significantly accelerate the time it takes OMass to identify lead compounds and bring life-changing benefits to patients.

About

OMass Therapeutics are an Oxford biotechnology company spun out of Oxford University harnessing native mass spectrometry and other biophysical technologies to drive drug discovery in high definition.

YellowDog scale, control and optimise compute with their world-class hybrid- and multi-cloud workload management platform. YellowDog utilise the Best Source of Compute for customers' individual requirements so their workloads are delivered on time and on budget.

Infographic - https://mma.prnewswire.com/media/1276964/YellowDog_Cloud_Instances_OMass_Infographic.jpg