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| Main Author: | |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2504.19355 |
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Table of Contents:
- We present a machine learning analysis of circular dichroism spectra of globular proteins from the SP175 database, using the optimal transport-based $1$-Wasserstein distance $\mathcal{W}_1$ (with order $p=1$) and the manifold learning algorithm $t$-SNE. Our results demonstrate that $\mathcal{W}_1$ is consistent with both Euclidean and Manhattan metrics while exhibiting robustness to noise. On the other hand, $t$-SNE uncovers meaningful structure in the high-dimensional data. The clustering in the $t$-SNE embedding is primarily determined by proteins with distinct secondary structure compositions: one cluster predominantly contains $β$-rich proteins, while the other consists mainly of proteins with mixed $α/β$ and $α$-helical content.