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 |