Potential functional changes in native lysozyme induced by carbon nanotubes studied by molecular dynamics simulations

Potential functional changes in native lysozyme induced by carbon nanotubes studied by molecular dynamics simulations

Abstract A carbon nanotube (CNT) can affect biological systems, ranging from toxicity to changes in functionality. Here, a series of long-scale (1–2 µs) molecular dynamics simulations were conducted to investigate the adsorption and interaction of lysozyme with the CNT, a possible mechanism for alte...

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Bibliographic Details
Main Authors: S. Mehdi Vaez Allaei, Mehriar Amininasab, Hrachya Ishkhanyan, Armen H. Poghosyan
Format: Article
Language:English
Published: Nature Portfolio 2025-04-01
Series:Scientific Reports
Subjects:
Carbon nanotube
Protein
Denaturation
Molecular dynamics
Online Access:https://doi.org/10.1038/s41598-025-96435-3
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https://doi.org/10.1038/s41598-025-96435-3

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