Roadmap for Computer-Aided Modeling of Theranostics and Related Nanosystems
1 Department of Biophysics, Institute of Physics, Safarik University, Kosice, Slovakia
2 Center for Interdisciplinary Biosciences, TIP-UPJS, Safarik University, Kosice, Slovakia
3 Institute of Experimental Physics, Slovak Academy of Sciences, Kosice, Slovakia
4 Laboratory of Information Technologies JINR, 141980 Dubna, Moscow Region, Russia
Published online: 14 February 2018
Detailed understanding of the interactions of novel metal-containing nanoparticles with biological membranes, macromolecules and other molecular targets of the living cell is crucial for the elucidation of the biological actions of such functionalized nanosystems. We present here the construction and modeling of thiolate-protected gold clusters and the prediction of their static and dynamic properties.
© The Authors, published by EDP Sciences, 2018
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (http://creativecommons.org/licenses/by/4.0/).