AlphaFold Models of Small Proteins Rival the Accuracy of Solution NMR Structures.

ABSTRACT: Recent advances in molecular modeling using deep learning have the potential to revolutionize the field of structural biology. In particular, AlphaFold has been observed to provide models of protein structures with accuracies rivaling medium-resolution X-ray crystal structures, and with excellent atomic coordinate matches to experimental protein NMR and cryo-electron microscopy structures. Here we assess the hypothesis that AlphaFold models of small, relatively rigid proteins have accuracies (based on comparison against experimental data) similar to experimental solution NMR structures. We selected six representative small proteins with structures determined by both NMR and X-ray crystallography, and modeled each of them using AlphaFold. Using several structure validation tools integrated

SUBMITTER: Tejero R 

PROVIDER: S-EPMC9234698 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature