@article{d0d79777955f4808815ed2910cbcfff3,
title = "Nanocapsule designs for antimicrobial resistance",
abstract = "The pressing need of new antimicrobial products is growing stronger, particularly because of widespread antimicrobial resistance, endangering our ability to treat common infections. The recent coronavirus pandemic has dramatically highlighted the necessity of effective antibacterial and antiviral protection. This work explores at the molecular level the mechanism of action of antibacterial nanocapsules assembled in virus-like particles, their stability and their interaction with mammal and antimicrobial model membranes. We use Molecular Dynamics with force-fields of different granularity and protein design strategies to study the stability, self-assembly and membrane poration properties of these nanocapsules.",
author = "Irene Marzuoli and Cruz, {Carlos H.B.} and Lorenz, {Christian D.} and Franca Fraternali",
note = "Funding Information: I. M. acknowledges funding by the Engineering and Physical Sciences Research Council (EPSRC) through the Centre for Doctoral Training “Cross Disciplinary Approaches to NonEquilibrium Systems” (CANES, Grant No. EP/L015854/ 1). C. H. B. C. acknowledges funding from CAPES – Proc. n 88881.197985/2018-01. This project made use of the following resources: computer time on ARCHER granted via the UK High-End Computing Consortium for Biomolecular Simulation, HECBioSim (http://hecbiosim.ac.uk), supported by EPSRC (grant no. EP/R029407/1); resources provided by the Cambridge Service for Data Driven Discovery (CSD3) operated by the University of Cambridge Research Computing Service (http://www.csd3.cam.ac.uk/), provided by Dell EMC and Intel using Tier-2 funding from the Engineering and Physical Sciences Research Council (capital grant EP/P020259/1), and DiRAC funding from the Science and Technology Facilities Council (http://www.dirac.ac.uk). Publisher Copyright: {\textcopyright} The Royal Society of Chemistry. Copyright: Copyright 2021 Elsevier B.V., All rights reserved.",
year = "2021",
month = jun,
day = "21",
doi = "10.1039/d0nr08146a",
language = "English",
volume = "13",
pages = "10342--10355",
journal = "Nanoscale",
issn = "2040-3364",
publisher = "Royal Society of Chemistry",
number = "23",
}
