Facet selectivity in gold binding peptides: exploiting interfacial water structure.

ABSTRACT: Peptide sequences that can discriminate between gold facets under aqueous conditions offer a promising route to control the growth and organisation of biomimetically-synthesised gold nanoparticles. Knowledge of the interplay between sequence, conformations and interfacial properties is essential for predictable manipulation of these biointerfaces, but the structural connections between a given peptide sequence and its binding affinity remain unclear, impeding practical advances in the field. These structural insights, at atomic-scale resolution, are not easily accessed with experimental approaches, but can be delivered via molecular simulation. A current unmet challenge lies in forging links between predicted adsorption free energies derived from enhanced sampling simulations with t

SUBMITTER: Wright LB 

PROVIDER: S-EPMC5669244 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature