Decisive role of water and protein dynamics in residence time of p38α MAP kinase inhibitors
The molecular determinants of the residence time of a small molecule inhibitor at its target protein are not well understood. Here, Pantsar et al. show that the target protein’s conformational stability and solvent exposure are key factors governing the target residence time of kinase inhibitors.
Gorde:
| Egile Nagusiak: | , , , , , |
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| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
Nature Portfolio
2022-01-01
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| Saila: | Nature Communications |
| Sarrera elektronikoa: | https://doi.org/10.1038/s41467-022-28164-4 |
| Etiketak: |
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