Article
Deep learning-guided design of dynamic proteins.
Science (New York, N.Y.) - 22 May 2025
Guo Amy B, Akpinaroglu Deniz, Stephens Christina A, Grabe Michael, Smith Colin A, Kelly Mark J S, Kortemme Tanja
Abstract excerpt
Deep learning has advanced the design of static protein structures, but the controlled conformational changes that are hallmarks of natural signaling proteins have remained inaccessible to de novo design. Here, we describe a general deep learning-guided approach for de novo design of dynamic changes between intradomain geometries of proteins, similar to switch mechanisms prevalent in nature, with atomic-level...
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