P2Y1 purinergic receptor in the presence of 10% of 2-hydroxypyridine (P2O) 40ns

Category: Protein-Membrane
Downloaded: 126

 

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: Probe MD simulations. Mapping an allosteric site at the lipid interface of the P2Y1 purinergic receptor. The P2Y1 receptor in the presence of 10% of 2-hydroxypyridine (P2O) 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