Quality over quantity: how to get the best results when using docking for repurposing
Molecular docking is among the fastest and most readily available computational tools to explore protein–ligand interactions. However, little effort has been put into assessing the quality of its results. In this paper, we compared eight free license docking programs to screen a drug library against...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2025-05-01
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| Series: | Frontiers in Bioinformatics |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/articles/10.3389/fbinf.2025.1536504/full |
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