Mesoscopic modeling of protein - surface interactions
Trvání:
01.03.2012 - 31.12.2014 Anotace:
Mesoscopic modeling using dissipative particle dynamics was employed to systematically study the effect of shape, size and hydrophobicity / hydrophilicity of proteins on their adsorption kinetics. Mesoscale models of proteins and surfaces were obtained from atomistic simulations of individual proteins in water and individual proteins close to walls using mapping from the atomistic to mesoscopic level.