A5103248171- DNA and Nucleic Acid Chemistry
- Metal complexes synthesis and properties
- Advanced biosensing and bioanalysis techniques
- Bacteriophages and microbial interactions
- DNA Repair Mechanisms
- Photochemistry and Electron Transfer Studies
- Genomics and Phylogenetic Studies
- Gut microbiota and health
École Polytechnique Fédérale de Lausanne
2023
The impact of an 8-oxoguanine (8oxoG) defect on the redox properties DNA within nucleosome core particle (NCP) was investigated employing hybrid quantum mechanical/molecular mechanics (QM/MM) molecular dynamics simulations native and 8oxoG-containing NCP systems with explicit representation a biologically relevant environment. Two distinct positions varying solvent accessibility were considered for 8oxoG insertion. In both cases, it is found that presence drastically decreases free energy...
The impact of an 8-oxoguanine (8oxoG) defect on the redox properties DNA within Nucleosome Core Particle (NCP) was investigated employing hybrid Quantum Mechanical/Molecular Mechanics (QM/MM) molecular dynamics simulations native and 8oxoG-containing NCP systems with explicit representation a biologically relevant environment. Two distinct positions varying solvent accessibility were considered for 8oxoG insertion. In both cases, it is found that presence drastically decreases free energy...
The impact of an 8-oxoguanine (8oxoG) defect on the redox properties DNA within Nucleosome Core Particle (NCP) structure was investigated employing hybrid Quantum Mechanical/Molecular Mechanics (QM/MM) molecular dynamics simulations native and 8oxoG-containing NCP systems with explicit representation a biologically relevant environment. Two distinct positions were considered for 8oxoG insertion. In both cases, it is found that presence drastically decreases free energy oxidation, by roughly...