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- W4300825774 abstract "Double-stranded DNA may contain mismatched base pairs beyond the Watson-Crick pairs guanine-cytosine and adenine-thymine. Such mismatches bear adverse consequences for human health. We utilize molecular dynamics and metadynamics computer simulations to study the equilibrium structure and dynamics for both matched and mismatched base pairs. We discover significant differences between matched and mismatched pairs in structure, hydrogen bonding, and base flip work profiles. Mismatched pairs shift further in the plane normal to the DNA strand and are more likely to exhibit non-canonical structures, including the e-motif. We discuss potential implications on mismatch repair enzymes' detection of DNA mismatches." @default.
- W4300825774 created "2022-10-04" @default.
- W4300825774 creator A5002248940 @default.
- W4300825774 creator A5062331135 @default.
- W4300825774 date "2018-03-06" @default.
- W4300825774 modified "2023-09-26" @default.
- W4300825774 title "DNA Base Pair Mismatches Induce Structural Changes and Alter the Free Energy Landscape of Base Flip" @default.
- W4300825774 doi "https://doi.org/10.48550/arxiv.1803.02027" @default.
- W4300825774 hasPublicationYear "2018" @default.
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