Dataset for: Similarity scores of vibrational spectra reveal the atomistic structure of pentapeptides in multiple basins

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Détails bibliographiques
Auteurs principaux:	Otaki, Hiroki, Ishiuchi, Shun-ichi, Fujii, Masaaki, Sugita, Yuji, Yagi, Kiyoshi
Format:	Recurso digital
Langue:	anglais
Publié:	Zenodo 2023
Sujets:	Peptide conformation Vibrational spectroscopy Density functional theory Enhanced sampling Anharmonicity
Accès en ligne:	Acceder al recurso
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https://doi.org/10.5281/zenodo.7580818

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