High field NMR and molecular modeling are useful techniques to solve in solution the structure of DNA, proteins or protein/protein and DNA/protein complexes which give high valuable and key informations to understand in vitro biomolecular interactions or mechanisms.
We have solved for example the structure of a short DNA duplex containing clusters of lesions and explained how the structure and the dynamic of DNA might affect the protein Fpg recognition and repair efficiency (J. Mol. Biol. 2014 ; Biochemistry 2016).