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Alfonso Pozzan

Computing infrastructure for drug design within pharmaceutical industry


GlaxoSmithKline S.p.A. Verona

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     Last modified: November 30, 2007

Abstract
Nowadays, the success in designing new drugs (drug design) is tightly bound to the computational capabilities available within a research organization. Following the well known Moore’s law, during the last few decades, computing power available to computational chemists, cheminformaticians and bioinformaticians has increased dramatically. On the other hand, the technological and scientific improvements in the pharmaceutical field have always created the need for more computing power, network bandwidth and disk space. The current status of a typical computing infrastructure available within a major pharmaceutical industry is reviewed in relationship with the objectives addressed by drug design methods. This includes reviewing and presenting various hardware architectures and how these are integrated
with current drug design software and tasks.

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