Octopus: a platform for the virtual high-throughput screening of a pool of compounds against a set of molecular targets
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DOI: 10.1007/s00894-016-3184-9
Abstract: AbstractOctopus is an automated workflow management tool that is scalable for virtual high-throughput screening (vHTS). It integrates MOPAC2016, MGLTools, PyMOL, and AutoDock Vina. In contrast to other platforms, Octopus can perform docking simulations of an… read more here.
Keywords: virtual high; high throughput; set molecular; compounds set ... See more keywords