Human dopamine transporter embedded in a membrane, bound to novel psychoactive substance MAPB 250ns

Category: Protein-Membrane
Downloaded: 364

 

Total length of simulation:  250 nanoseconds Simulation software: ACEMD
Time between snapshots: 2.5 nanoseconds MD forcefield: CHARMM27 (protein), CHARMM36 (lipids) 
File formats: charmm psf and dcd 
Simulation details: Neutralising monovalent ionic environment 
Trajectory donated by: Michelle Sahai 
Citations:

Sahai et al; https://doi.org/10.1016/j.pnpbp.2016.11.004