Plots of pLDDT versus RMSF over all simulated S1 chimeras.

Panels (a-n) show the per-residue pLDDT from AlphaFold plotted against the RMSF from molecular dynamics simulations across the entire dataset of simulated S1 chimeras. Predicted high-stability chimeras are plotted in red, and predicted low-stability chimeras are plotted in magenta. The Spearman correlation coefficient between pLDDT and RMSF over the dataset is -0.69. (PDF)

Publication Details

Journal
Figshare
Published
2025-02-05
DOI
https://doi.org/10.1371/journal.pcbi.1012812.s005
Primary Topic
Coffee research and impacts
Type
article
Field-Weighted Citation Impact
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article

Plots of pLDDT versus RMSF over all simulated S1 chimeras.

Figshare
Coffee research and impacts
article

Plots of pLDDT versus RMSF over all simulated S1 chimeras.

article en

Abstract

Panels (a-n) show the per-residue pLDDT from AlphaFold plotted against the RMSF from molecular dynamics simulations across the entire dataset of simulated S1 chimeras. Predicted high-stability chimeras are plotted in red, and predicted low-stability chimeras are plotted in magenta. The Spearman correlation coefficient between pLDDT and RMSF over the dataset is -0.69. (PDF)

Figshare
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