Self-assembly of triton X-100 in water solutions: a multiscale simulation study linking mesoscale to atomistic models.

Abstract

A multiscale scheme is proposed and validated for Triton X-100 (TX-100), which is a detergent widely employed in biology. The hybrid particle field formulation of the model allows simulations of large-scale systems. The coarse-grained (CG) model, accurately validated in a wide range of concentrations, shows a critical micelle concentration, shape transition… (More)
DOI: 10.1021/acs.jctc.5b00485

Topics

Figures and Tables

Sorry, we couldn't extract any figures or tables for this paper.

Slides referencing similar topics