Source Data for the publication: "Binding pose depth modulates photoswitchable ligands' efficacy at the 5-HT2A receptor"

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: Verena Weber, Giacomo Salvadori, Federico Natale, Hubert Gerwe, Michael W. Decker, Paolo Carloni, Giulia Rossetti
DOI: 10.5281/zenodo.18310657
Cited by: 1

Abstract

trans.frcmod and cis.frcmod contain the forcefield parameters for the trans and cis isomers, respectively. The .tar.xz files contain the first and last frames of all unbiased MD simulations (production), as well as the index, topology, and production mdp files.

Fields of Study & Subjects

Photochromic and Fluorescence Chemistry Receptor Mechanisms and Signaling Retinal Development and Disorders

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
20 January 2026