The detailed methodology for the molecular similarity, the molecular docking, the MD simulations, the ProLIF, the PLIP, the MM-GBSA, the PCAT, and the <i>In vitro</i> studies.
<p>The detailed methodology for the molecular similarity, the molecular docking, the MD simulations, the ProLIF, the PLIP, the MM-GBSA, the PCAT, and the <i>In vitro</i> studies.</p>
Publication Details
- Journal
- Figshare
- Published
- 2024-12-03
- DOI
- https://doi.org/10.1371/journal.pone.0312866.s001
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00