Designing biodegradable surfactants and effective biomolecules with dissipative particle dynamics
Abstract
The design of a biodegradable, environmentally friendly surfactant is carried out, taking the structure of a known surfactant that lacks these qualities as the starting point, using mesoscopic computer simulations. The newly designed surfactant is found to perform at least as well as its predecessor, without the latter inimical characteristics. In the second part of this work, a comparative study of model proteins with different amino acid sequence interacting with surfaces is undertaken. The results show that, all other aspects being equal, this sequence is the key factor determining the optimal activity of the proteins near surfaces. These conclusions are found to be in agreement with recent experiments from the literature.
Keywords
Cite
@article{arxiv.1406.3120,
title = {Designing biodegradable surfactants and effective biomolecules with dissipative particle dynamics},
author = {A. Gama Goicochea},
journal= {arXiv preprint arXiv:1406.3120},
year = {2014}
}
Comments
Published in "Experimental and Computational Fluid Mechanics" (Environmental Science and Engineering / Environmental Engineering), Springer International Publishing AG, J. Klapp, A. Medina (eds.), pp.433-452, 2014