Saved in:
Bibliographic Details
Main Authors: Arcidiacono, Amanda, Bondanza, Mattia, Cupellini, Lorenzo, Mennucci, Benedetta
Format: Recurso digital
Language:
Published: Zenodo 2025
Online Access:https://doi.org/10.5281/zenodo.15639358
Tags: Add Tag
No Tags, Be the first to tag this record!
Table of Contents:
  • <p>The files contain the data necessary to reproduce the plots shown in the paper "<em>Atomic simulations reveal the mechanism of photoactivation of a carotenoid-binding photoreceptor</em>".</p> <table style="border-collapse: collapse; width: 99.9732%;"><colgroup><col style="width: 28.8252%;"><col style="width: 71.1509%;"></colgroup> <tbody> <tr> <td>data_sh_cis.csv</td> <td>initial and final values for the isomerizind dihedral angles of cis-CAN@NTD</td> </tr> <tr> <td>data_sh_trans.csv</td> <td>initial and final values for the isomerizind dihedral angles of trans-CAN@NTD</td> </tr> <tr> <td>data_spectra_env_cis.csv</td> <td>values for the spectra of PPcis (in environment)</td> </tr> <tr> <td>data_spectra_env_trans.csv</td> <td>values for the spectra of PPtrans (in environment)</td> </tr> <tr> <td>data_spectra_env_ocpo.csv </td> <td>values for the spectra of OCPo (in environment)</td> </tr> <tr> <td>data_spectra_vac_cis.csv</td> <td>values for the spectra of PPcis (in vacuum)</td> </tr> <tr> <td>data_spectra_vac_trans.csv</td> <td>values for the spectra of PPtrans (in vacuum)</td> </tr> <tr> <td>data_spectra_vac_ocpo.csv</td> <td>values for the spectra of OCPo (in vacuum)</td> </tr> </tbody> </table> <p> </p>