Published December 7, 2021 | Version v1
Journal article Open

Receptor-wide Determinants of G Protein Coupling Selectivity in Aminergic GPCRs

Authors/Creators

  • 1. Molecular Biology, Genetics and Bioengineering Program, Faculty of Engineering and Natural 7 Sciences, Sabanci University, Istanbul 34956, Turkey
  • 2. Computational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of 9 Medicine, Bahcesehir University, Istanbul 34734, Turkey

Description

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.

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