Determination of nucleobase-pairing free energies from rotamer equilibria of 2-(methylamino)pyrimidines.

Jakub Radek ŠtočekKateřina BártováLucie ČechováMichal ŠálaOndřej SochaZlatko JanebaMartin Dračínský

Published in: Chemical communications (Cambridge, England) (2019)

A fast straightforward method for the determination of free energies of modified nucleobase pairing is proposed. The method is based on the nuclear magnetic resonance (NMR) spectroscopy monitoring of conformational changes of 2-(methylamino)-pyrimidines upon intermolecular binding.

Keyphrases

magnetic resonance
density functional theory
solid phase extraction
molecularly imprinted
molecular dynamics
molecular dynamics simulations
single molecule
computed tomography
dna binding
high resolution
mass spectrometry
transcription factor