New Approach to Computationally Designing Drugs for GPCRs

September 8, 2016

Modeling protein interactions with drugs has long been computationally challenging. One obstacle is these interactions often take relatively long to occur and conventional molecular dynamics simulation is insufficient. This week a group of researchers, using several EXSEDE supercomputers, report a hybrid in silico-experimental approach that shows promise as a drug design tool for use with G protein-coupled receptors (GPCRs) Read more…

By John Russell

Cycling through Genomics and Other Cloud HPC Applications

June 24, 2013

HPC in the Cloud caught up with Cycle Computing CEO and Co-Founder Jason Stowe, where he discussed the company’s efforts in aiding Schrodinger, Inc., a company focused on chemical simulation for biotechnical and pharmaceutical purposes, in their efforts as they won Bio-IT World’s best practices award last month. Read more…

By Ian Armas Foster

Cycle Spins Up 50,000-core Cluster in Amazon Cloud

April 24, 2012

The case for utility supercomputing just got a lot bigger, literally. Cycle Computing has created a 50,000-core virtual supercomputer to assist in the development of novel drug compounds for cancer research. Read more…

By Tiffany Trader

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