[16a-W2_402-1~10] 12.6 Nanobiotechnology

11:30 AM - 11:45 AM JST(2:30 AM - 2:45 AM UTC)

[16a-W2_402-10] FMO-DPD Simulation of Amino Acids and Peptides Adsorbed onto Graphene Sheets: Comparison of Lattice Models under Aqueous and Vacuum Conditions

〇Subaru Hiratsuka¹, Daiki Arai¹, Hideo Doi¹, Koji Okuwaki^1,2, Yuhei Hayamizu³, Yuji Mochizuki^1,4 (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 the surfaces of two-dimensional materials such as graphene, we performed simulations using the dissipative particle dynamics (DPD) method. Eight-residue peptides with Gly-Ala repeat units were placed on graphene models represented by square and triangular lattices, and their adsorption behavior was compared under aqueous and vacuum conditions. Although adsorption was observed under both conditions, differences in peptide arrangement and orientation depending on the lattice structure were suggested.