
Molecular dynamics simulation trajectories for the following work : https://www.biorxiv.org/content/10.1101/2021.09.15.460528v1. PDB formatted structure files and XTC formatted trajectories for each run were provided (water, ions and lipids were stripped - only protein atoms were kept). 2 and 7 runs were performed for the inactive and active receptor structures, respectively.
GPCR, Molecular Dynamics Simulation, G Protein Selectivity
GPCR, Molecular Dynamics Simulation, G Protein Selectivity
