[16p-PB02-1~15] 12.6 Nanobiotechnology

[16p-PB02-9] Evaluation of effective parameters for FMO-DPD simulation of proteins

〇Yusuke Tachino¹, Hideo Doi¹, Koji Okuwaki¹, Yoshinori Hirano², Yuji Mochizuki^1,3 (1.Rikkyo Univ., 2.Keio Univ., 3.Univ. Tokyo)

Keywords:Proteins, Dissipative particle dynamics simulation, FMO

We have started a project to evaluate a set of parameters covering all 20 amino acids for protein DPD simulations by using FMO calculations. As a first step, we are evaluating the parameters for the seven amino acids constituting Chignolin for which we had a previous experience. Care is being taken for the charge conditions and the coarse-grained molecular structures and patterns. The results of the DPD will also be presented in the poster presentation.