Developing Science Gateways for Drug Discovery in a Grid Environment

Pérez‑Sánchez, Horacio and Rezaei, Vahid and Mezhuyev, Vitaliy and Man, Duhu and Peña‑García, Jorge and Den‑Haan, Helena and Gesing, Sandra (2016) Developing Science Gateways for Drug Discovery in a Grid Environment. SpringerPlus, 5 (1300). pp. 1-9. ISSN 2193-1801. (Published)

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Methods for in silico screening of large databases of molecules increasingly complement and replace experimental techniques to discover novel compounds to combat diseases. As these techniques become more complex and computationally costly we are faced with an increasing problem to provide the research community of life sciences with a convenient tool for high-throughput virtual screening on distributed computing resources.

Item Type: Article
Uncontrolled Keywords: Virtual screening, FlexScreen, Science gateways, Drug discovery, High performance computing
Subjects: Q Science > QA Mathematics > QA76 Computer software
Faculty/Division: Faculty of Computer System And Software Engineering
Depositing User: Mrs. Neng Sury Sulaiman
Date Deposited: 02 Mar 2017 03:05
Last Modified: 27 Feb 2018 01:20
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