Simulations and active learning enable efficient identification of an experimentally-validated broad coronavirus inhibitor
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DOI: 10.1038/s41467-025-62139-5
Abstract: Drug screening resembles finding a needle in a haystack: identifying a few effective inhibitors from a large pool of potential drugs. Large experimental screens are expensive and time-consuming, while virtual screening trades off computational efficiency… read more here.
Keywords: simulations active; active learning; efficient identification; inhibitor ... See more keywords