Uni-Dock: GPU-Accelerated Docking Enables Ultralarge Virtual Screening.
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DOI: 10.1021/acs.jctc.2c01145
Abstract: Molecular docking, a structure-based virtual screening method, is a reliable tool to enrich potential bioactive molecules from molecular databases. With the rapid expansion of compound library sizes, the speed of existing molecular docking programs becomes… read more here.
Keywords: virtual screening; gpu accelerated; dock; accelerated docking ... See more keywords