Publication details

Influence of non-Watson-Crick base pairing on structure of DNA

Authors

BOUCHAL Tomáš DURNÍK Ivo ILLÍK Viktor KULHÁNEK Petr

Type Conference abstract
Citation
Description This study is focused on structural properties DNA. Studied structure is 13 base pairs long palindromic DNA with all combination of base pairs in the middle of structure. We have analyzed free energy surfaces created using ABF molecular dynamics with chosen collective variable. We extracted structures around locals minima of these free energy surfaces to run QM/MM structure optimizations followed by AIM analyses of central base pairs of the DNA structures.
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