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Published in 2022 at "Molecular Informatics"
DOI: 10.1002/minf.202200034
Abstract: Docking‐based virtual screening (VS) is a common starting point in many drug discovery projects. While ligand‐based approaches may sometimes provide better results, the advantage of docking lies in its ability to provide reliable ligand binding…
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Keywords:
enrichment optimization;
virtual screening;
target specific;
eoa ... See more keywords