Published July 28, 2023
| Version v1
Dataset
Open
Molecular dynamics simulation data 2: Structure of the connexin-43 gap junction channel in a putative closed state
Authors/Creators
- 1. Institute for Bioengineering of Catalunya (IBEC), The Barcelona Institute of Science and Technology, Barcelona, Spain
- 2. School of Pharmaceutical Sciences, University of Geneva, CH-1211 Geneva, Switzerland
Description
Molecular dynamics data for the manuscript Qi C.*, Acosta-Gutierrez S.*, Lavriha P., Othman A., Lopez-Pigozzi D., Bayraktar E., Schuster D., Picotti P., Zamboni N., Bortolozzi M., Gervasio F.L., Korkhov V.M. Structure of the connexin-43 gap junction channel in a putative closed state. eLife (2023) https://doi.org/10.7554/eLife.87616.2
The dataset includes:
1. The starting coordinates, topology, MD inputs
2. Production run gromacs trajectories for the Cx43 hemichannel
Files
CX43_DHEA_HC_trajectories.zip
Additional details
References
- Qi, Acosta-Gutierrez et al. Structure of the connexin-43 gap junction channel in a putative closed state. eLife (2023) https://doi.org/10.7554/eLife.87616.2