Binding selectivity analysis of AURKs inhibitors through molecular dynamics simulation studies.
Aurora kinases (AURKs) have been identified as promising biological targets for the treatment of cancer. In this study, molecular dynamics simulations were employed to investigate the binding selectivity of three inhibitors (HPM, MPY, and VX6) towards AURKA and AURKB by predicting their binding free...
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| Hauptverfasser: | , , , , , , , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Public Library of Science (PLoS)
2023-01-01
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| Schriftenreihe: | PLoS ONE |
| Online-Zugang: | https://doi.org/10.1371/journal.pone.0295741 |
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