Molecular Modeling in the Cloud: a Turnkey Solution for Scalable Sims

Time March 16, 2022 8:00 am. PST: Molecular Modeling in the Cloud: A turnkey solution for scalable simulations

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Sometimes, in the application of in silico methods in support of drug discovery, you need more compute power than you have. In this webinar you’ll see how easy it is to access the industry-leading MOE molecular modeling platform, on an ‘as needed’ machine and token scale, through use of the GridMarkets cloud platform.

Chemical Computing Group will showcase how, in just 3 simple steps, you can set-up a high-performance MOE calculation on the GridMarkets cloud. This will be done in the context of recent developments by CCG in the modeling of proteolysis targeting chimeric systems (PROTACs). PROTAC molecules represent a novel paradigm in the field of drug discovery, wherein target proteins are degraded through the ubiquitin-proteasome system.

NuChem Sciences will then present their use of MOE via GridMarkets to enable a virtual screening campaign at an unprecedented scale. As will be shared, the ability to seamlessly spin up additional compute resources, as needed, enabled critical project insight to be generated despite significant time constraints.