Dataset for: Similarity scores of vibrational spectra reveal the atomistic structure of pentapeptides in multiple basins
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Zenodo
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| Hauptverfasser: | , , , , |
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| Format: | Recurso digital |
| Sprache: | Englisch |
| Veröffentlicht: |
Zenodo
2023
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| _version_ | 1866902106093387776 |
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| author | Otaki, Hiroki Ishiuchi, Shun-ichi Fujii, Masaaki Sugita, Yuji Yagi, Kiyoshi |
| author_facet | Otaki, Hiroki Ishiuchi, Shun-ichi Fujii, Masaaki Sugita, Yuji Yagi, Kiyoshi |
| contents | <p>This dataset provides input/output files and scripts for the publication: Similarity scores of vibrational spectra reveal the atomistic structure of pentapeptides in multiple basins.</p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_7580818 |
| institution | Zenodo |
| language | eng |
| publishDate | 2023 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Dataset for: Similarity scores of vibrational spectra reveal the atomistic structure of pentapeptides in multiple basins Otaki, Hiroki Ishiuchi, Shun-ichi Fujii, Masaaki Sugita, Yuji Yagi, Kiyoshi Peptide conformation Vibrational spectroscopy Density functional theory Enhanced sampling Anharmonicity <p>This dataset provides input/output files and scripts for the publication: Similarity scores of vibrational spectra reveal the atomistic structure of pentapeptides in multiple basins.</p> |
| title | Dataset for: Similarity scores of vibrational spectra reveal the atomistic structure of pentapeptides in multiple basins |
| topic | Peptide conformation Vibrational spectroscopy Density functional theory Enhanced sampling Anharmonicity |
| url | https://doi.org/10.5281/zenodo.7580818 |