Gold Nanoparticles: Understanding and Designing the Gold-Bio Interface: Insights from Simulations (Small 18/2016)

Patrick Charchar; Andrew J Christofferson; Nevena Todorova; Irene Yarovsky

doi:10.1002/smll.201670092

Gold Nanoparticles: Understanding and Designing the Gold-Bio Interface: Insights from Simulations (Small 18/2016)

Small. 2016 May;12(18):2394. doi: 10.1002/smll.201670092.

Authors

Patrick Charchar¹, Andrew J Christofferson¹, Nevena Todorova¹, Irene Yarovsky¹

Affiliation

¹ School of Engineering, RMIT University, Melbourne, Victoria, 3001, Australia.

PMID: 27151827
DOI: 10.1002/smll.201670092

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.

Keywords: electronic structures; force fields; multiscale modeling; nano-bio interfaces; nanoparticles.