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29 October 2014

Drug discovery: Balancing accuracy and computational expense

Knowing exactly which drugs or compounds will bind tightly to which receptors is key to drug discovery and development, and high-throughput computing is commonly used to virtually screen millions of compounds for binding affinity. Read about ALGDock, a new hybrid approach to traditional docking and free energy calculation that balances accuracy and computational expense.

Amber Harmon
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4.25
Forecasting the future

Physicists can tell the future — or at least foresee multiple possible versions of it. They do this through computer simulations. Simulations can help scientists predict what will happen when a particular kind of particle hits a particular kind of material in a particle detector. But physicists are not the only scientists interested in predicting how particles and other matter will interact. This information is critical in multiple fields, especially those concerned about the effects of radiation. Physicists and other scientists use the GEANT4 toolkit to identify problems before they occur.

Monica Friedlander
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3
Visual
Next gen art: The making of Unnumbered Sparks
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3.5
Spotlight
Protecting the rainforest with upcycled phones and cloud computing

Rainforest Connection uses simple devices created from discarded cellphones to listen out for illegal logging activities and provide rangers with real-time alerts. The organization was founded in 2012 by Topher White, who gave a talk about his work at TEDxCERN last month. White’s system has already helped stop illegal logging in Indonesia and further pilot projects are set to be launched soon in both Brazil and Cameroon.

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4.333335

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Los Alamos computer simulation improves offshore drill rig safety

Researchers at the Los Alamos National Laboratory used supercomputers to model ocean vortexes and their effect on floating oil rigs. Their work has won industry awards — increasing safety and reducing potential harm to deep sea environments....

Nancy Ambrosiano
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From the early days of grid computing to the era of ‘big science’

As iSGTW celebrates its 10th anniversary, Katie Yurkewicz, the publication’s first editor, looks back at the challenges of establishing an e-newsletter to support the fledgling grid-computing community and highlights how the...

Katie Yurkewicz
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4.4
A decade of iSGTW!

This issue marks the 10th anniversary of iSGTW. We would like to take this opportunity to thank all our readers and all those who have contributed to the publication over the last decade.

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Magnifying the life of things with a smartphone microscope
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4.5

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