Published February 6, 2025
| Version v2
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Updated MD trajectories and topology files for "Structural and dynamic features of cagrilintide binding to calcitonin and amylin receptors" - Nature Communications
Authors/Creators
- 1. Coventry University
- 2. Coventry University West Midlands GB
Description
Molecular dynamics trajectories (3 separated replicas, stripped of POPC, water and NaCl) for Cagri:AMY3R:Gs and rAMY:AMY3R:Gs.
The topology file for GC9 and missing parameters (i.e. not present in the standard CHARMM36 force field) are provided.
psf and pdb files of the POPC-embedded, fully solvated structures are also provided.