A molecular dynamics simulation of DNA damage induction by ionizing radiation
Abolfath RM, Carlson DJ, Chen ZJ, Nath R. A molecular dynamics simulation of DNA damage induction by ionizing radiation. Physics In Medicine And Biology 2013, 58: 7143-7157. PMID: 24052159, DOI: 10.1088/0031-9155/58/20/7143.Peer-Reviewed Original ResearchConceptsMolecular dynamics simulationsChemical reactionsDynamics simulationsChemical bond breaksWater moleculesMolecular dynamics softwareHydrogen abstractionHydroxyl free radicalsBond breaksChemical eventsCollection of ionsSingle protonRadicalsLow-energy electronsDNA moleculesProtonsBackbone damageFree radicalsMulti-scale simulationsIonsMoleculesReactionElectronsBroken bondsEnergy electronsTH‐F‐105‐02: Molecular Dynamics Simulation of DNA Damage Induction by Ionizing Radiation
Abolfath R, Carlson D, Chen Z, Nath R. TH‐F‐105‐02: Molecular Dynamics Simulation of DNA Damage Induction by Ionizing Radiation. Medical Physics 2013, 40: 552-552. DOI: 10.1118/1.4815815.Peer-Reviewed Original ResearchWater moleculesOH radicalsMD simulationsChemical reactionsMolecular dynamicsReaxFF molecular dynamicsHydrogen bond disruptionDynamics of OHMolecular dynamics simulationsChemical pathwaysPair of ionsResult of ionizationSuch computational approachesBond disruptionDynamics simulationsSingle protonMoleculesProtonsBeam of electronsIon distributionOHReactionElectronsIonizationComputational approach