A multi-infrastructure gateway for virtual drug screening

Summary In computer‐aided drug design, software tools are used to narrow down possible drug candidates, thereby reducing the amount of expensive in vitro research, by a process called virtual screening. This process includes large computations that require advanced computing infrastructure; however,...

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Veröffentlicht in:	Concurrency and computation 2015-11, Vol.27 (16), p.4478-4490
Hauptverfasser:	Jaghoori, Mohammad Mahdi, van Altena, Allard J., Bleijlevens, Boris, Ramezani, Sara, Font, Juan Luis, Olabarriaga, Silvia D.
Format:	Artikel
Sprache:	eng
Schlagworte:	Computation Computer networks Computer programs Design engineering drug discovery Drugs eScience Gateways (computers) grid computing Hadoop Infrastructure science gateway Screening virtual screening
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