Theoretical studies on the bonding of Cd2+ to adenine and thymine: Tautomeric equilibrium and metalation in base pairing

Interaction of Cd2+ with adenine and thymine and influence of metalation in base pairing are studied with high level DFT methods. Cd2+ binding to adenine nucleobases changes the equilibrium of tautomers and preferably supports the imino form rare tautomer.