SlimMD Database
P2Y1 purinergic receptor bound to BPTU the allosteric modulator 40 ns
Category: Protein-Membrane
Downloaded: 481
| Total length of simulation: | 40 ns | Simulation software: | NAMD |
| Time between snapshots: | 200 ps | MD forcefield: | CHARMM36, CgenFF |
| File formats: | dcd, psf, pdb | ||
| Simulation details: | Classical MD simulations of the P2Y1 receptor bound to BPTU in the water-POPC bilayer. 0.15M of Na+ and Cl-. Three replicates are provided. | ||
| Trajectory donated by: | Irina Tikhonova | ||
| Citations: | https://doi.org/10.1021/acscentsci.1c00802 | ||
