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