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…

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…

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…

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Whitepaper

How Direct Liquid Cooling Improves Data Center Energy Efficiency

Data centers are experiencing increasing power consumption, space constraints and cooling demands due to the unprecedented computing power required by today’s chips and servers. HVAC cooling systems consume approximately 40% of a data center’s electricity. These systems traditionally use air conditioning, air handling and fans to cool the data center facility and IT equipment, ultimately resulting in high energy consumption and high carbon emissions. Data centers are moving to direct liquid cooled (DLC) systems to improve cooling efficiency thus lowering their PUE, operating expenses (OPEX) and carbon footprint.

This paper describes how CoolIT Systems (CoolIT) meets the need for improved energy efficiency in data centers and includes case studies that show how CoolIT’s DLC solutions improve energy efficiency, increase rack density, lower OPEX, and enable sustainability programs. CoolIT is the global market and innovation leader in scalable DLC solutions for the world’s most demanding computing environments. CoolIT’s end-to-end solutions meet the rising demand in cooling and the rising demand for energy efficiency.

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Sponsored by CoolIT

Whitepaper

Transforming Industrial and Automotive Manufacturing

Divergent Technologies developed a digital production system that can revolutionize automotive and industrial scale manufacturing. Divergent uses new manufacturing solutions and their Divergent Adaptive Production System (DAPS™) software to make vehicle manufacturing more efficient, less costly and decrease manufacturing waste by replacing existing design and production processes.

Divergent initially used on-premises workstations to run HPC simulations but faced challenges because their workstations could not achieve fast enough simulation times. Divergent also needed to free staff from managing the HPC system, CAE integration and IT update tasks.

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Sponsored by TotalCAE

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