Raw Data and Analysis Scripts for: "The N-terminal Lid of the μ-Opioid Receptor Functions as a Dynamic Gate to Confer Ligand-Dependent Pharmacogenetics"

This repository contains the raw data, input files, topology files, and analysis scripts required to reproduce the results presented in the manuscript: "The N-terminal Lid of the μ-Opioid Receptor Functions as a Dynamic Gate to Confer Ligand-Dependent Pharmacogenetics". This study investigates the structural dynamics of the Mu Opioid Receptor (MOR), specifically focusing on the N40D pharmacogenetic variant. The data includes molecular dynamics (MD) simulations of both the Wild-type (WT) and N40D mutant receptors in complex with morphine, fentanyl and DAMGO. For any questions regarding the data, please contact: Dingjun Jiang at [e-mail] .