Molecular docking, density functional theory, and molecular dynamics study of pipecolisporin derivatives: Unveiling the antimalarial potential of novel cyclic peptides


	The RMSD and RMSF graphs for the 500 ns molecular dynamics simulation of Analog-2–2BL9, Analog-3–2BL9, Analog-2–4ZL4, Analog-3–4ZL4, Analog-2–1CET, and Analog-3–1CET.

Part of: Kurniaty N, Fakih TM, Maharani R, Supratman U, Hidayat AT (2025) Molecular docking, density functional theory, and molecular dynamics study of pipecolisporin derivatives: Unveiling the antimalarial potential of novel cyclic peptides. Pharmacia 72: 1-21. https://doi.org/10.3897/pharmacia.72.e142361