Atomic-Resolution Prediction of Degrader-mediated Ternary Complex Structures by Combining Molecular Simulations with Hydrogen Deuterium Exchange
T. Dixon, D. MacPherson, B. Mostofian, T. Dauzhenka, S. Lotz, D. McGee, S. Shechter, U. Shrestha, R. Wiewiora, Z. A. McDargh, F. Pei, R. Pal, J. V. Ribeiro, T. Wilkerson, V. Sachdeva, , J. A. Izaguirre
This paper predicts atomic-resolution structures of degrader-mediated ternary complexes using combined HDX-MS and molecular dynamics simulations, validated by experimental data.
bioRxiv · Sep 26, 2021 · PreprintBiophysics