What singles out the G[8-5]C intrastrand DNA cross-link? Mechanistic and structural insights from quantum mechanics/molecular mechanics simulations.
Patel C, Garrec J, Dupont C, Dumont E.
Patel C, et al. Among authors: dumont e.
Biochemistry. 2013 Jan 15;52(2):425-31. doi: 10.1021/bi301198h. Epub 2013 Jan 2.
Biochemistry. 2013.
PMID: 23256602
The activation free energy of the reacting subsystem embedded in a solvated dodecamer is estimated to be 12.4 kcal/mol, which is 3 kcal/mol higher than the value for the prototypical G[8-5m]T lesion inferred employing the same theoretical framework [Garrec, J., Patel, C., Rothlis …
The activation free energy of the reacting subsystem embedded in a solvated dodecamer is estimated to be 12.4 kcal/mol, which is 3 kcal/mol …