MEDIATE - Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions.

Expert opinion on drug discovery(2023)

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摘要
Structure-based virtual screening is well-suited for collaborative projects provided that the participating researchers work on the same input file. Until now, such a strategy was rarely pursued and most initiatives in the field were organized as challenges. The MEDIATE platform is focused on SARS-CoV-2 targets but can be seen as a prototype which can be utilized to perform collaborative virtual screening campaigns in any therapeutic field by sharing the appropriate input files.
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关键词
Collaborative computing, virtual screening, docking simulations, drug repurposing, SARS-CoV-2, artificial intelligence
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