Structural insights on the ligand selectivity of the mouse trace amine-associated receptor TAAR7e

PAPER: Structural insights on the ligand selectivity of the mouse trace amine-associated receptor TAAR7e *_mTaar7e.pdb: Molecular docking results of various ligands (DMBA, DMCHA, DMOA, OA) bound to the mTaar7e receptor. *.in files (01-07*.in) : Input parameter files for different stages of molecular dynamics (MD) simulations, including minimization, heating, density equilibration, and production runs. *_pro_complex.pdb: Structures of the protein–ligand complexes after the first MD step, which include the protein, ligand, and explicit water molecules in a periodic box. *.prmtop: Corresponding AMBER topology files for the solvated complex systems.