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  • Title: A Simple and Resource-efficient Setup for the Computer-aided Drug Design Laboratory.
    Author: Moretti L, Sartori L.
    Journal: Mol Inform; 2016 Oct; 35(10):489-494. PubMed ID: 27647771.
    Abstract:
    Undertaking modelling investigations for Computer-Aided Drug Design (CADD) requires a proper environment. In principle, this could be done on a single computer, but the reality of a drug discovery program requires robustness and high-throughput computing (HTC) to efficiently support the research. Therefore, a more capable alternative is needed but its implementation has no widespread solution. Here, the realization of such a computing facility is discussed, from general layout to technical details all aspects are covered.
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