N/OFQ-NOPa models data

This enty contains: MD input files and scripts to run the simulations of six different predicted N/OFQ-NOP complexes obtained with different modelling approaches, as follows: Model name Method 5C1M_HM_P4 Homology modelling + peptide docking 6DDE_HM_P3 Homology modelling + peptide docking AF_MS1_P2 AI-based modelling + peptide docking AF_MS2_P1 AI-based modelling + peptide docking AF_R2M5 AI-based modelling AFc_R1M5 AI-based modelling MD topology (.psf) and trajectory (.dcd) files of all six systems plus vmd script (.vmd ) to visualise the trajectory with lowest peptide and receptor RMSD and RMSF profiles