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 intracellular side of the Beta2 adrenergic receptor. Beta2 adrenergic receptor in the presence of 10% of benzamide (BZA) 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 |