MD trajectories to accompany "Dynamics of the mu-opioid receptor in complex with Gi protein"

Published: 29 August 2023| Version 1 | DOI: 10.17632/9dvbntsmtv.1
Contributors:
,
,
, Diniz Sena Jr

Description

System coordinates (gro files) and trajectory frames (xtc files) from plain molecular dynamics simulations of the mu-opioid receptor (MOR) embedded in a POPC membrane, surrounded by water and ions, coupled to the Gi protein with (closed) and without (open) GDP. gromacs-2021.3 was used to perform the simulations.

Files

Steps to reproduce

Please refer to the corresponding paper at International Journal of Molecular Sciences, 2023.

Institutions

  • Universidade Regional do Cariri
  • Instituto Federal de Educacao Ciencia e Tecnologia do Ceara

Categories

Biophysics, Molecular Mechanics with Molecular Dynamics, Computational Chemistry

Licence