title: Molecular Dynamics Dataset - Dynamics of GLP-1R peptide agonist engagement are correlated with kinetics of G protein activation
author: Giuseppe Deganutti
description: Molecular dynamics simulations of the glucagon-like peptide receptor (GLP-1R) in complex with Gs protein and four different agonist peptides: GLP-1, exendin-4, oxyntomodulin, and exendin-P5.  For each system, the .xtc file is the result of the merging of 4 replicas of 500 ns for a total of 2 microseconds (8 microseconds considering all four GLP-1R complexes). The original MD trajectories have been stripped of water, ions and phosphatidylcholine atoms before the upload. The CHARMM36 force field was used.