Small Molecule Agonist Binding at human NOP Receptor Data

This entry contains: MD input files and scripts to run the simulations of N/OFQ(1-13)-NH2 in complex with the human NOP receptor (PDB ID: 8F7X) Initial docking poses and MD input files and scripts to run the simulations of predicted small molecule agonist in complex with the human NOP receptor Ligand Binding Mode Receptor Structure (R)-Ro 65-6570 RBM01 8F7X (R)-Ro 65-6570 RBM03 8F7X_mod MCOPPB MBM04 8F7X_mod MCOPPB MBM05 8F7X_mod MD topology (.psf) and trajectory (.dcd) files of all five simulated systems (three replicas each)