Ligand binding to telomeric G-quadruplex DNA investigated by funnel-metadynamics simulations [Biophysics and Computational Biology]

G-quadruplexes (G4s) are higher-order DNA structures typically present at promoter regions of genes and telomeres. Here, the G4 formation decreases the replicative DNA at each cell cycle, finally leading to apoptosis. The ability to control this mitotic clock, particularly in cancer cells, is fascinating and passes through a rational understanding...

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