Exploring bioinformatics approach for evaluating binding affinities of probable COVID-19 therapeutic decoys

Researchers developed a computational workflow based on molecular dynamic (MD) simulations and artificial neural network (ANN) to assess the SARS-CoV-2 spike (S) protein receptor-binding domain (RBD)-human angiotensin-converting enzyme 2 (hACE2) binding affinities of SARS-CoV-2 variants.

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