Published in
Royal Society of Chemistry, Chemical Communications, 27(53), p. 3830-3833, 2017
DOI: 10.1039/c7cc00318h
Links
- ORCID
- Royal Society of Chemistry
- [pure.qub.ac.uk] | PDF
- [pure.qub.ac.uk] | PDF
- [orca.cf.ac.uk] | PDF
Tools
The mechanism of aquaporin inhibition by gold compounds elucidated by biophysical and computational methods
Journal article published in 2017 by
Andreia de Almeida,
Andreia F. Mósca,
Darren Wragg,
Margot Wenzel,
Paul Kavanagh,
Giampaolo Barone 
,
Stefano Leoni,
Graça Soveral,
Angela Casini
,
Stefano Leoni,
Graça Soveral,
Angela Casini
This paper is available in a repository.
Full text: Download
Published version:
archiving forbidden
Data provided by 
Abstract
The mechanism of inhibition of water and glycerol permeation via human aquaglyceroporin-3 (AQP3) by gold(iii) complexes has been described, for the first time, using molecular dynamics (MD), combined with density functional theory (DFT) and electrochemical studies.