Computational Studies of radiation nad Oxidative Damage to DNA and its Recognition by Repair Enzyme

摘要

Molecular dynamics (MD) simulation is used to study the time evolution of the recognition processes and to construct a model of the specific 'DNA-repair enzyme' complexes. MD simulationso f the following molecules were performed: DNA dodecamer with thymine dimer (TD), DNA 30-mer with thymine glycol (TG), and respective specific repair enzymes T4 Endonuclease V and Endonuclease III. Both DNa lesions are experimentally suggested to be mutagenic and carcinogenic unless properly recognized and repaired by repair enzymes.