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Luteolin: a blocker of SARS-CoV-2 cell entry based on relaxed complex scheme, molecular dynamics simulation, and metadynamics

Shadrack, Daniel; Deogratias, Geradius; Kiruri, Lucy; Onoka, Isaac; Vianney, John-Mary; Swai, Hulda; Nyandoro, Stephen (Springer Nature, 2021-07-08)
Ensemble-based screening of natural products and FDA-approved drugs identified potent inhibitors of SARS-CoV-2 that work with two distinct mechanisms

Shadrack, Daniel; Deogratias, Geradius; Kiruri, Lucy; Swai, Hulda; Vianney, John-Mary; Nyandoro, Stephen (Elsevier Ltd., 2021-06)

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Author
- Deogratias, Geradius (2)
- Kiruri, Lucy (2)
- Nyandoro, Stephen (2)
- Shadrack, Daniel (2)
- Swai, Hulda (2)
- Vianney, John-Mary (2)
- Onoka, Isaac (1)
Subject
- COVID-19 (2)
- Docking screening (1)
- Free energy calculation (1)
- MD simulation (1)
- Metadynamics (1)
- Natural products (1)
- SARS-CoV-2 (1)
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Date Issued
- 2021 (2)
Has File(s)
- Yes (2)