Supporting data for protein membrane simulations in "Recalibration of protein interactions in Martini 3"
<p>Coarse-grained molecular dynamics simulations of protein-membrane systems from "Recalibration of protein interactions in Martini 3". Simulations were run with the Martini 3.0 force field, along with two modified versions of Martini 3.0 in which the well-depth, ε, in the Lennard-Jones potential between all protein and water beads was rescaled by a factor <em>λ</em><sub>PW</sub>, ε in the Lennard-Jones potential between all protein beads was rescaled by a factor <em>λ</em><sub>PP</sub>. The simulation files are organized into one tar file for each rescaling approach. The simulation files are in xtc format, and are accompanied by a structure in gro format for system topology and a tpr file to start the simulation.</p>
ShareScore
28/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 4
- Access
- 16
- Reuse readiness
- 0
- Engagement
- 4
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