Randomly masking residues prior to running ESMFold allows false positives to be identified more effectively

Summary

Randomly masking residues prior to running ESMFold allows false positive folders to be identified (1). This partially overcomes the limitation of ESMFold to fold everything. It also leads to marginal improvements in Spearman correlation between pLDDT and experimental stability ($\Delta G$).

See also

• Masking ESMFold can sometimes sample alternate conformations

1.

Hermosilla AM, Berner C, Ovchinnikov S, Vorobieva AA. Validation of de novo designed water-soluble and transmembrane proteins by in silico folding and melting. openRxiv; 2023. Available from: https://doi.org/10.1101/2023.06.06.543955