M2 muscarinic receptor bound to Iperoxo agonist in the presence of 10% THP 40 ns

Category: Protein-Membrane
Downloaded: 130

 

Total length of simulation:  40 ns   Simulation software: NAMD 
Time between snapshots: 200 ps  MD forcefield: CHARMM36, CgenFF 
File formats: dcd, top, pdb 
Simulation details: M2 muscarinic receptor bound to Iperoxo agonist (LIG) in the presence of 10 % Thieno[2,3-b]pyridine (THP). The system in the water-POPC bilayer. 0.15M Na+ and Cl- ions. 
Trajectory donated by: Irina Tikhonova 
Citations: https://doi.org/10.1021/acscentsci.1c00802