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ICM Cloud Computing Case Studies


MolSoft ICM used in World's Largest Ever Virtual Screen Resulting in 3 New Lead Compounds.

At the Amazon Cloud Computing conference ( AWS Re:Invent ) scientists at Novartis reported using MolSoft's ICM-VLS in the largest ever virtual screen. MolSoft's software developers built a cloud-version of ICM-VLS which enabled Novartis to undertake this ground breaking achievement in cloud-based virtual screening. Cyclecomputing (a cloud vendor service company) enabled the jobs to be distributed to more than 30,000 cores in the USA and Europe. Novartis undertook 10.6 years of drug compound computations in 9 hours! The virtual screen resulted in three new lead compounds which are now being optimized by Novartis. This work was previously reported at MolSoft's user group meeting earlier this year and at BioIT 2012. MolSoft's ICM-VLS has a strong track record of achieving high quality leads in ligand- and structure-based drug discovery. Please contact MolSoft if you would like to learn how you can undertake a similar screen.

680 Million Chemicals Screened in 24 Hours identifies new leads for non-addictive pain relief

Scientists at USC have used ICM on the Google Cloud to perform large scale virtual ligand screening to identify new leads for non-addicitive pain relief. Opioid addiction is a major problem in the USA and the NIH have sponsored the work in Vselevod Katritch Ph.D. lab at USC to use Cloud Computing for drug design. MolSoft's ICM-VLS method was used to screen more than half a billion chemicals to the opioid G Protein Coupled Receptor. You can read more here and watch a video about this work below.
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