Large-Scale Docking in the Cloud
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DOI: 10.1021/acs.jcim.3c00031
Abstract: Molecular docking is a pragmatic approach to exploit protein structures for new ligand discovery, but the growing size of available chemical space is increasingly challenging to screen on in-house computer clusters. We have therefore developed… read more here.
Keywords: large scale; cost; dock; scale docking ... See more keywords