Towards understanding structure-stability and surface properties of laminin peptide YIGSR and mutants

Properties of laminin peptide YIGSR and its mutated sequences YIGSD, YIGSS, YIGSN and YIGSQ have been investigated using molecular dynamics simulations (MDS) and Langmuir films at air/water interface. Simulation studies on laminin peptide YIGSR were performed in the isothermal-isobaric (N, P, T) ensemble, with run up to 5 ns in water as well as lipid environment at 298 K. From different initial configurations, shape transformations of the peptides on the timescale of nanoseconds were observed. The results showed YIGSR to be the most stable peptide with the order of minimized energy being YIGSR