Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry

Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry

The formation of ternary degrader-protein complexes is a key step in the targeted degradation of proteins of interest. Here, the authors explore the structure and dynamics of such complexes applying high-performance computer simulations augmented with experimental data.

Bibliographic Details
Main Authors: Tom Dixon, Derek MacPherson, Barmak Mostofian, Taras Dauzhenka, Samuel Lotz, Dwight McGee, Sharon Shechter, Utsab R. Shrestha, Rafal Wiewiora, Zachary A. McDargh, Fen Pei, Rajat Pal, João V. Ribeiro, Tanner Wilkerson, Vipin Sachdeva, Ning Gao, Shourya Jain, Samuel Sparks, Yunxing Li, Alexander Vinitsky, Xin Zhang, Asghar M. Razavi, István Kolossváry, Jason Imbriglio, Artem Evdokimov, Louise Bergeron, Wenchang Zhou, Jagat Adhikari, Benjamin Ruprecht, Alex Dickson, Huafeng Xu, Woody Sherman, Jesus A. Izaguirre
Format: Article
Language:English
Published: Nature Portfolio 2022-10-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-022-33575-4

Internet

https://doi.org/10.1038/s41467-022-33575-4

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