Gold nanoparticles for cancer radiotherapy: a review

K Haume, S Rosa, S Grellet, MA Śmiałek… - Cancer …, 2016 - Springer
Radiotherapy is currently used in around 50% of cancer treatments and relies on the
deposition of energy directly into tumour tissue. Although it is generally effective, some of the …

Interactions between low energy electrons and DNA: a perspective from first-principles simulations

J Kohanoff, M McAllister, GA Tribello… - Journal of Physics …, 2017 - iopscience.iop.org
DNA damage caused by irradiation has been studied for many decades. Such studies allow
us to better assess the dangers posed by radiation, and to increase the efficiency of the …

[HTML][HTML] Frontiers, challenges, and solutions in modeling of swift heavy ion effects in materials

N Medvedev, AE Volkov, R Rymzhanov… - Journal of Applied …, 2023 - pubs.aip.org
Since a few breakthroughs in the fundamental understanding of the effects of swift heavy
ions (SHIs) decelerating in the electronic stopping regime in the matter have been achieved …

[图书][B] Multiscale modeling of complex molecular structure and dynamics with MBN explorer

IA Solov'yov, AV Korol, AV Solov'yov - 2017 - Springer
MesoBioNano (MBN) Explorer is a multi-purpose software package for advanced multiscale
simulations of complex molecular structure and dynamics. It has many unique features and a …

Modeling Time‐Resolved Kinetics in Solids Induced by Extreme Electronic Excitation

N Medvedev, F Akhmetov… - Advanced Theory …, 2022 - Wiley Online Library
The authors present a concurrent Monte Carlo (MC)–molecular dynamics (MD) approach to
modeling matter response to excitation of its electronic system at nanometric scales. The two …

Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment

AV Solov'yov, AV Verkhovtsev, NJ Mason… - Chemical …, 2024 - ACS Publications
This roadmap reviews the new, highly interdisciplinary research field studying the behavior
of condensed matter systems exposed to radiation. The Review highlights several recent …

Simulation of the ion-induced shock waves effects on the transport of chemically reactive species in ion tracks

P de Vera, E Surdutovich, NJ Mason, FJ Currell… - The European Physical …, 2018 - Springer
The passage of energetic ions through tissue initiates a series of physico-chemical events
which leads to biodamage. The study of such ion-induced biodamage using a multiscale …

Modeling the effect of ion‐induced shock waves and DNA breakage with the reactive CHARMM force field

I Friis, A Verkhovtsev, IA Solov'yov… - Journal of …, 2020 - Wiley Online Library
Ion‐induced DNA damage is an important effect underlying ion beam cancer therapy. This
article introduces the methodology of modeling DNA damage induced by a shock wave …

Multiscale modeling for cancer radiotherapies

E Surdutovich, AV Solov'yov - Cancer Nanotechnology, 2019 - Springer
Background Ion-beam cancer therapy, an alternative to a common radiation therapy with X-
rays, has been used clinically around the world since 1990s; the number of proton therapy …

Irradiation-driven molecular dynamics: a review

AV Verkhovtsev, IA Solov'yov, AV Solov'yov - The European Physical …, 2021 - Springer
Abstract This paper reviews Irradiation-Driven Molecular Dynamics (IDMD)—a novel
computational methodology for atomistic simulations of the irradiation-driven transformations …