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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Full & Complete coverage of SC17

Keynote Reviews, Analysts Write Ups, Booth Vidoes, Student Competition, Awards and so much

Did you miss out on Supercomputing 2017? Did you attend, but were stuck in meetings the whole time without an opportunity to walk the show floor and see what new announcements were being made? HPCwire's got you covered, we visited some of the hottest booths in the exhibit hall and spoke with their top executives to get the scoop on the latest solutions, partnerships, and product announcements.

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Avoiding the Storage Silo Trap; Best Practices for Data Storage in Scientific Research

From mismatches between compute and storage capabilities to colossal data volumes, data storage presents a number of challenges for scientific research. And as silos pop up and challenges expand, the pace of research often suffers.

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Creating a Modular, Building-Block Architecture for Life Science Workflows

As genomic data becomes ubiquitous, infrastructure bottlenecks for life sciences organizations are narrowing. But speedy analysis and real-time decision making don't have to remain out of reach: modern end-to-end systems are emerging as flexible solutions for a competitive edge.

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