Drug discovery is a long and expensive process.  Computational compound screening can greatly reduce lab costs by finding the most likely compounds to pursue in lab.  Unfortunately in silico screening is a computationally intensive problem, requiring a significant amount of hardware to run.  This has traditionally meant that the cost gains of screening the compounds in silico has been offset by the capital investment required to buy the expensive clusters to do the computation.  We have developed a program to take advantage of recent innovations in cloud computing (Infrastructure as a service) allowing end users to screen compounds based on cost per compound pricing.  This greatly benefits smaller companies and academic institutions who cannot afford to purchase the required hardware outright.  We are able to offer this service by using the extensive tool-kit that Amazon has put together to allow use of their hardware on a per-hour and per-datum basis.

Cloud computing platform for high-throughput virtual screening and drug discovery

244th National Meeting (2012)

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