Molecular Dynamics Data for D-Amino Acid [Arg¹⁴ Lys¹⁵]N/OFQ(1–15)-NH₂ analogues Each folder contains the molecular dynamics topologies and trajectories (MD_Traj), as well as all input files and scripts required to reproduce the simulations (MD_Input). Reference: FGGFTGARKSARKRK-NH₂ 1a: FGGFTGARKSARKRk-NH₂ 1b: FGGFTGARKSARKrk-NH₂ 1c: FGGFTGARKSARkrk-NH₂ 1d: FGGFTGARKSArkrk-NH₂ 1e: FGGFTGARKSarkrk-NH₂ 1f: FGGFTGARKsarkrk-NH₂ 1g: FGGFTGARksarkrk-NH₂ 1h: FGGFTGArksarkrk-NH₂ 1i: FGGFTGarksarkrk-NH₂ This material is related to the following publication: Design of New Potent, Selective, and Long-Acting NOP Receptor Agonists through Multiple Sequential d-Amino Acid Substitutions of [Arg14 Lys15]N/OFQ(1–15)-NH2 Chiara Sturaro#, Alessandra Rizzo#, Erika Morrone, Erika Marzola, Pietro Pola, Alessia Frezza, Michela Argentieri, Federica Agosta, Antonella Ciancetta, Delia Preti, Salvatore Pacifico, Valentina Albanese, Giulio Meneguzzo, Davide Malfacini, Chiara Ruzza*, Girolamo Calò, and Remo Guerrini Journal of Medicinal Chemistry (2026); DOI: https://doi.org/10.1021/acs.jmedchem.6c01281