4:00 PM - 6:00 PM
[16p-PB02-9] Evaluation of effective parameters for FMO-DPD simulation of proteins
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.