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Keyword: protein flexibility ×Clear all

1 claim from 1 paper

1. Biochemistry, Genetics and Molecular Biology › Protein Structure and Dynamics

   Reliable protein–protein docking with AlphaFold, Rosetta, and replica exchange

   Harmalkar, Lyskov and Gray · eLife · 2025

   The authors combine AlphaFold structure prediction with physics-based replica exchange docking (AlphaRED) to predict protein complex structures, including cases where AlphaFold-multimer fails.

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   1. UncheckedAlphaFold's confidence scores (pLDDT) can be reused to estimate protein flexibility and docking accuracy for multi-protein complexes, across 254 targets.“Using a curated collection of 254 available protein targets with both unbound and bound structures, we first demonstrate that AF confidence measures (pLDDT) can be repurposed for estimating protein flexibility and docking accuracy for multimers.”