P2Y1 purinergic receptor bound to BPTU the allosteric modulator 40 ns

Category: Protein-Membrane
Downloaded: 163

 

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