Simulation of DNA damage using Geant4-DNA: an overview of the "molecularDNA" example application

Area of Science:

• * Radiobiology
• * Computational Physics
• * Molecular Biology

Background:

• * Growing scientific interest in DNA damage induction, repair, and biological effects post-ionizing radiation exposure.
• * Existing Monte Carlo simulation methods for studying these mechanisms.
• * Need for accessible computational tools for radiobiology research.

Purpose of the Study:

• * Introduce the "molecularDNA" Geant4-DNA example application.
• * Provide an accessible tool for novice users to study DNA damage.
• * Facilitate quantitative calculations of radiation-induced DNA damage.

Main Methods:

• * Development of the "molecularDNA" application within Geant4-DNA version 11.1.
• * Implementation of two DNA-scale biological target geometries: "cylinders" and "human cell".
• * Integration of a new chemical stage modeling approach, standard DNA damage format, and upgraded computational tools.

Main Results:

• * Generation of simulation data for single-strand break and double-strand break yields.
• * Validation of the "molecularDNA" example against literature data with <5% difference.
• * Demonstration of the tool's capability in quantifying DNA damage.

Conclusions:

• * "molecularDNA" serves as a versatile, open-access prototype for radiobiology studies.
• * The tool simplifies DNA damage quantification calculations for the scientific community.
• * Future versions will incorporate additional DNA and cell geometries.