New damage model for simulating radiation-induced direct damage to biomolecular systems and experimental validation using pBR322 plasmid.

ABSTRACT: In this work, we proposed a new damage model for estimating radiation-induced direct damage to biomolecular systems and validated its the effectiveness for pBR322 plasmids. The proposed model estimates radiation-induced damage to biomolecular systems by: (1) simulation geometry modeling using the coarse-grained (CG) technique to replace the minimum repeating units of a molecule with a single bead, (2) approximation of the threshold energy for radiation damage through CG potential calculation, (3) calculation of cumulative absorption energy for each radiation event in microscopic regions of CG models using the Monte Carlo track structure (MCTS) code, and (4) estimation of direct radiation damage to biomolecular systems by comparing CG potentials and absorption energy. The proposed model rep

SUBMITTER: Park J 

PROVIDER: S-EPMC9256689 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature