Insight into the Self-Assembling Properties of Peptergents: A Molecular Dynamics Simulation Study.

ABSTRACT: By manipulating the various physicochemical properties of amino acids, the design of peptides with specific self-assembling properties has been emerging for more than a decade. In this context, short peptides possessing detergent properties (so-called "peptergents") have been developed to self-assemble into well-ordered nanostructures that can stabilize membrane proteins for crystallization. In this study, the peptide with "peptergency" properties, called ADA8 and extensively described by Tao et al., is studied by molecular dynamic simulations for its self-assembling properties in different conditions. In water, it spontaneously forms beta sheets with a β barrel-like structure. We next simulated the interaction of this peptide with a membrane protein, the bacteriorhodopsin, in the presence

SUBMITTER: Crowet JM 

PROVIDER: S-EPMC6163580 | biostudies-literature | 2018 Sep

REPOSITORIES: biostudies-literature