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- W2749555747 endingPage "506" @default.
- W2749555747 startingPage "495" @default.
- W2749555747 abstract "Nanotoxicology studies toxicity of nanomaterials and has been widely applied in biomedical researches to explore toxicity of various biological systems. Investigating biological systems through in vivo and in vitro methods is expensive and time taking. Therefore, computational toxicology, a multi-discipline field that utilizes computational power and algorithms to examine toxicology of biological systems, has gained attractions to scientists. Molecular dynamics (MD) simulations of biomolecules such as proteins and DNA are popular for understanding of interactions between biological systems and chemicals in computational toxicology. In this paper, we review MD simulation methods, protocol for running MD simulations and their applications in studies of toxicity and nanotechnology. We also briefly summarize some popular software tools for execution of MD simulations." @default.
- W2749555747 created "2017-08-31" @default.
- W2749555747 creator A5001061892 @default.
- W2749555747 creator A5016686816 @default.
- W2749555747 creator A5068886380 @default.
- W2749555747 creator A5070149523 @default.
- W2749555747 date "2018-02-01" @default.
- W2749555747 modified "2023-10-17" @default.
- W2749555747 title "Molecular dynamics simulations and applications in computational toxicology and nanotoxicology" @default.
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