M2 muscarinic receptor bound to Iperoxo agonist and LY2119620 allosteric modulator 40 ns

Category: Protein-Membrane
Downloaded: 161

 

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. M2 muscarinic receptor bound to Iperoxo agonist and LY2119620 allosteric modulator in the water-POPC bilayer. 0.15 M of Na+ and Cl- 
Trajectory donated by: Irina Tikhonova 
Citations: https://doi.org/10.1021/acscentsci.1c00802