Presentation Information
[10a-PB5-10]FMO-DPD simulations of amino acids and peptides adsorbed onto graphene sheets - #2
〇Subaru Hiratsuka1, Hideo Doi1, Koji Okuwaki1,2, Yuhei Hayamizu3, Yuji Mochizuki1,4 (1.Rikkyo Univ., 2.JSOL, 3.Inst. Science Tokyo, 4.Univ. Tokyo)
Keywords:
Graphene,Peptide,Dissipative Particle Dynamics Simulation
To understand the adsorption behavior of peptides on two-dimensional material surfaces such as graphene, simulations were performed using dissipative particle dynamics (DPD). An 8-residue peptide with a repeating Gly-Ala (GA) sequence was placed on graphene models represented by square and triangular lattices, and its orientation was quantitatively evaluated using the orientational order parameter. The results revealed that while neighboring molecules densely packed with their orientations strongly aligned with each other, this correlation disappeared with distance.