Combining docking, molecular dynamics simulations, AD-MET pharmacokinetics properties, and MMGBSA calculations to create specialized protocols for running effective virtual screening campaigns on the autoimmune disorder and SARS-CoV-2 main protease

2023Frontiers in Molecular BiosciencesJournalOpen access

Authors

7 authors across 4 institutions in 3 countries.

Assignment is probabilistic — a work belongs to several fields in proportions.

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openalexseen September 9, 2026
2023 · Frontiers in Molecular Biosciences · 22 citations
https://openalex.org/W4386369784