Ab Initio Derived Classical Force Field for Molecular Dynamics Simulations of ZnO Surfaces in Biological Environment
Author:
Affiliation:
1. Department of Materials and Environmental Chemistry, Stockholm University, Stockholm SE-106 91, Sweden
Funder
Vetenskapsr?det
H2020 Leadership in Enabling and Industrial Technologies
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c00424
Reference55 articles.
1. ZnO Nanostructures for Drug Delivery and Theranostic Applications
2. Antimicrobial activity of Titanium dioxide and Zinc oxide nanoparticles supported in 4A zeolite and evaluation the morphological characteristic
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5. Skin damage induced by zinc oxide nanoparticles combined with UVB is mediated by activating cell pyroptosis via the NLRP3 inflammasome–autophagy–exosomal pathway
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2. Biomolecular Adsorption on Nanomaterials: Combining Molecular Simulations with Machine Learning;Journal of Chemical Information and Modeling;2024-04-16
3. Theoretical multiscale study on the properties, aqueous solution behavior and biological impact of zinc oxide nanoparticles;Surfaces and Interfaces;2024-03
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