title: Gold Nanoparticles: Understanding and Designing the Gold-Bio Interface: Insights from Simulations (Small 18/2016).
abstract: Computational modeling is a virtual microscope providing molecular insight into the complex interactions occurring at nano-bio interfaces. The image shows the atomistic landscape of a peptide-adlayer on gold nanoparticles, providing the physicochemical information needed to tailor the design of efficient colorimetric biosensors. The successes and challenges of theoretical simulations in facilitating gold nanomaterial design for biomedicine are reviewed on page 2395 by I. Yarovsky and co-workers.
authors.affiliation: School of Engineering, RMIT University, Melbourne, Victoria, 3001, Australia.
authors.forename: Patrick
authors.initials: P
authors.lastname: Charchar
authors.affiliation: School of Engineering, RMIT University, Melbourne, Victoria, 3001, Australia.
authors.forename: Andrew J
authors.initials: AJ
authors.lastname: Christofferson
authors.affiliation: School of Engineering, RMIT University, Melbourne, Victoria, 3001, Australia.
authors.forename: Nevena
authors.initials: N
authors.lastname: Todorova
authors.affiliation: School of Engineering, RMIT University, Melbourne, Victoria, 3001, Australia.
authors.forename: Irene
authors.initials: I
authors.lastname: Yarovsky
keywords: electronic structures; force fields; multiscale modeling; nano-bio interfaces; nanoparticles