Understanding DNA under oxidative stress and sensitization: The role of molecular modeling

E Dumont, A Monari - Frontiers in chemistry, 2015 - frontiersin.org
DNA is constantly exposed to damaging threats coming from oxidative stress, ie, from the
presence of free radicals and reactive oxygen species. Sensitization from exogenous and …

Computer simulations of plasma–biomolecule and plasma–tissue interactions for a better insight in plasma medicine

EC Neyts, M Yusupov, CC Verlackt… - Journal of Physics D …, 2014 - iopscience.iop.org
Plasma medicine is a rapidly evolving multidisciplinary field at the intersection of chemistry,
biochemistry, physics, biology, medicine and bioengineering. It holds great potential in …

Influence of reactive species on the modification of biomolecules generated from the soft plasma

P Attri, N Kumar, JH Park, DK Yadav, S Choi… - Scientific reports, 2015 - nature.com
Plasma medicine is an upcoming research area that has attracted the scientists to explore
more deeply the utility of plasma. So, apart from the treating biomaterials and tissues with …

Numerical study on interactions of atmospheric plasmas and vegetable oils by reactive molecular dynamic simulations

SQ Tian, XL Wang, YT Zhang - Plasma Processes and …, 2021 - Wiley Online Library
Plasma medicine is a rapidly growing multidisciplinary field. Recently, experimental
observations have shown that plasma‐activated oil (PAO) with high reactive activity can …

Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field

CCW Verlackt, EC Neyts, T Jacob… - New Journal of …, 2015 - iopscience.iop.org
Cold atmospheric pressure plasmas have proven to provide an alternative treatment of
cancer by targeting tumorous cells while leaving their healthy counterparts unharmed …

Plasma for cancer treatment: How can RONS penetrate through the cell membrane? Answers from computer modeling

A Bogaerts, M Yusupov, J Razzokov… - Frontiers of Chemical …, 2019 - Springer
Plasma is gaining increasing interest for cancer treatment, but the underlying mechanisms
are not yet fully understood. Using computer simulations at the molecular level, we try to …

Unveiling the interaction mechanisms of cold atmospheric plasma and amino acids by machine learning

ZN Chai, XC Wang, M Yusupov… - Plasma Processes and …, 2024 - Wiley Online Library
Plasma medicine has attracted tremendous interest in a variety of medical conditions,
ranging from wound healing to antimicrobial applications, even in cancer treatment, through …

A molecular dynamics simulation of DNA damage induction by ionizing radiation

RM Abolfath, DJ Carlson, ZJ Chen… - Physics in Medicine & …, 2013 - iopscience.iop.org
We present a multi-scale simulation of the early stage of DNA damages by the indirect action
of hydroxyl (• OH) free radicals generated by electrons and protons. The computational …

Multi-level molecular modelling for plasma medicine

A Bogaerts, N Khosravian, J Van der Paal… - Journal of Physics D …, 2015 - iopscience.iop.org
Modelling at the molecular or atomic scale can be very useful for obtaining a better insight in
plasma medicine. This paper gives an overview of different atomic/molecular scale …

Towards the ionizing radiation induced bond dissociation mechanism in oxygen, water, guanine and DNA fragmentation: a density functional theory simulation

S Kc, R Abolfath - Scientific Reports, 2022 - nature.com
The radiation-induced damages in bio-molecules are ubiquitous processes in radiotherapy
and radio-biology, and critical to space projects. In this study, we present a precise …