Decisive role of water and protein dynamics in residence time of p38α MAP kinase inhibitors
oleh: Tatu Pantsar, Philipp D. Kaiser, Mark Kudolo, Michael Forster, Ulrich Rothbauer, Stefan A. Laufer
| Format: | Article |
|---|---|
| Diterbitkan: | Nature Portfolio 2022-01-01 |
Deskripsi
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.