Structural mechanism of a drug-binding process involving a large conformational change of the protein target
oleh: Pelin Ayaz, Agatha Lyczek, YiTing Paung, Victoria R. Mingione, Roxana E. Iacob, Parker W. de Waal, John R. Engen, Markus A. Seeliger, Yibing Shan, David E. Shaw
| Format: | Article |
|---|---|
| Diterbitkan: | Nature Portfolio 2023-04-01 |
Deskripsi
Atomic-level descriptions of protein–small molecule binding processes that involve a large conformational change of the protein have been elusive. Here, the authors report unguided molecular dynamics simulations of such a process—Abl kinase binding the cancer drug imatinib.