Spresso: an ultrafast compound pre-screening method based on compound decomposition
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DOI: 10.1093/bioinformatics/btx178
Abstract: Abstract Motivation Recently, the number of available protein tertiary structures and compounds has increased. However, structure-based virtual screening is computationally expensive owing to docking simulations. Thus, methods that filter out obviously unnecessary compounds prior to… read more here.
Keywords: spresso ultrafast; compound; pre screening; ultrafast compound ... See more keywords