A Folding-Docking-Affinity framework for protein-ligand binding affinity prediction
Abstract Accurate protein-ligand binding affinity prediction is crucial in drug discovery. Existing methods are predominately docking-free, without explicitly considering atom-level interaction between proteins and ligands in scenarios where crystallized protein-ligand binding conformations are unav...
Gardado en:
| Principais autores: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Nature Portfolio
2025-04-01
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| Series: | Communications Chemistry |
| Acceso en liña: | https://doi.org/10.1038/s42004-025-01506-1 |
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