Fig. 5: Generated conformations (dots) from seven competing methods, along with the reference MD distribution for BPTI, visualized in the top two TICA components most relevant to protein folding dynamics. | Nature Machine Intelligence

Fig. 5: Generated conformations (dots) from seven competing methods, along with the reference MD distribution for BPTI, visualized in the top two TICA components most relevant to protein folding dynamics.

From: Conditional diffusion with locality-aware modal alignment for generating diverse protein conformational ensembles

Fig. 5

The density contours of the MD reference distribution are plotted in each result. Five key conformation clusters are marked by numbers 1–5 in red colour.

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