Insights into the interactions of biomolecules with small gold clusters: a theoretical study from a DFTB perspective
Sign Up to like & getrecommendations! Published in 2017 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-017-2118-7
Abstract: In this study, we highlight the benefits and limits of using density-functional tight-binding (DFTB) with respect to standard density functional theory (DFT). The DFTB method is found to reliably reproduce the DFT adsorption energies and… read more here.
Keywords: gold cluster; interactions biomolecules; biomolecules small; study ... See more keywords
Surface Engineering of Nanomaterials with Polymers, Biomolecules, and Small Ligands for Nanomedicine
Sign Up to like & getrecommendations! Published in 2022 at "Materials"
DOI: 10.3390/ma15093251
Abstract: Nanomedicine is a speedily growing area of medical research that is focused on developing nanomaterials for the prevention, diagnosis, and treatment of diseases. Nanomaterials with unique physicochemical properties have recently attracted a lot of attention… read more here.
Keywords: engineering nanomaterials; polymers biomolecules; surface engineering; biomolecules small ... See more keywords