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