Published February 24, 2023 | Version v1
Dataset Open

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

Authors/Creators

  • 1. Nagasaki University
  • 2. Tokyo Institute of Technology
  • 3. RIKEN

Description

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.

Files

README.md

Files (20.4 GB)

Name Size
md5:cdd4decd823de45ea89735ac2de28b87
118.8 kB Download
md5:28c7caab590f582c2750a34dffc5641e
1.6 GB Download
md5:95a024693d5c32feb16d9c990e20e72e
18.9 GB Download
md5:0d23814c918b5cad26c03afe914315b2
3.2 kB Download
md5:3c226af9a58520091cf614f9a1d8534c
465 Bytes Preview Download

Additional details

Related works

Is supplement to
Preprint: 10.26434/chemrxiv-2023-qn9rc (DOI)
Publication: 10.1039/D4CP00064A (DOI)