Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors
A. Meller, S. H. de Oliviera, T. Abramyan, A. Davtyan, G. R. Bowman, H. van den Bedem
The paper shows that using dynamic simulations with an AlphaFold structure improves the prediction of allosteric inhibitor binding to PPM1D compared to static structures.
bioRxiv · Mar 22, 2023 · PreprintBiophysics