Converting nanotoxicity data to information using artificial intelligence and simulation

X Yan, T Yue, DA Winkler, Y Yin, H Zhu… - Chemical …, 2023 - ACS Publications
Decades of nanotoxicology research have generated extensive and diverse data sets.
However, data is not equal to information. The question is how to extract critical information …

Understanding interactions between biomolecules and two-dimensional nanomaterials using in silico microscopes

SH Chen, DR Bell, B Luan - Advanced drug delivery reviews, 2022 - Elsevier
Abstract Two-dimensional (2D) nanomaterials such as graphene are increasingly used in
research and industry for various biomedical applications. Extensive experimental and …

Ultrathin 2D Titanium Carbide MXene (Ti3C2Tx) Nanoflakes Activate WNT/HIF‐1α‐Mediated Metabolism Reprogramming for Periodontal Regeneration

D Cui, N Kong, L Ding, Y Guo… - Advanced Healthcare …, 2021 - Wiley Online Library
Periodontal defect regeneration in severe periodontitis relies on the differentiation and
proliferation of periodontal ligament cells (PDLCs). Recently, an emerging 2D nanomaterial …

Understanding the interactions between inorganic-based nanomaterials and biological membranes

Y Kang, J Liu, Y Jiang, S Yin, Z Huang, Y Zhang… - Advanced Drug Delivery …, 2021 - Elsevier
The interactions between inorganic-based nanomaterials (NMs) and biological membranes
are among the most important phenomena for developing NM-based therapeutics and …

Nanoparticles traversing the extracellular matrix induce biophysical perturbation of fibronectin depicted by surface chemistry

X Guo, L Yang, C Deng, L Ren, S Li, X Zhang, J Zhao… - Nanoscale, 2024 - pubs.rsc.org
While the filtering and accumulation effects of the extracellular matrix (ECM) on
nanoparticles (NPs) have been experimentally observed, the detailed interactions between …

The Inhibition of SARS-CoV-2 3CL Mpro by Graphene and Its Derivatives from Molecular Dynamics Simulations

J Wang, Y Yu, T Leng, Y Li, ST Lee - ACS Applied Materials & …, 2021 - ACS Publications
At present, the most powerful new drugs for COVID-19 are antibody proteins. In addition,
there are some star small molecule drugs. However, there are few studies on nanomaterials …

Effect of shape on the entering of graphene quantum dots into a membrane: a molecular dynamics simulation

Z Kong, P Zhang, J Chen, H Zhou, X Ma, H Wang… - ACS …, 2021 - ACS Publications
Graphene quantum dots (GQDs), a new quasi-zero-dimensional nanomaterial, have the
advantages of a smaller transverse size, better biocompatibility, and lower toxicity. They …

A mutagenesis study of autoantigen optimization for potential T1D vaccine design

Y Song, DR Bell, R Ahmed, KC Chan… - Proceedings of the …, 2023 - National Acad Sciences
A previously reported autoreactive antigen, termed the X-idiotype, isolated from a unique
cell population in Type 1 diabetes (T1D) patients, was found to stimulate their CD4+ T cells …

Structural characterization of an intrinsically disordered protein complex using integrated small‐angle neutron scattering and computing

SH Chen, KL Weiss, C Stanley, D Bhowmik - Protein Science, 2023 - Wiley Online Library
Characterizing structural ensembles of intrinsically disordered proteins (IDPs) and
intrinsically disordered regions (IDRs) of proteins is essential for studying structure–function …

How distinct structural flexibility within sars-cov-2 spike protein reveals potential therapeutic targets

SH Chen, MT Young, J Gounley… - … Conference on Big …, 2021 - ieeexplore.ieee.org
The emergence and rapid worldwide spread of the novel coronavirus disease, COVID-19,
has prompted concerted efforts to find successful treatments. The causative virus, severe …