Extended Data Table 4 Quantum mechanical point charges for each atom of 8-oxo-dGTP(anti) and dGTP(anti) with either two or three calcium ions

From: Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide

  1. The molecular dynamics point charges used with three magnesium ions are shown for reference in the last column. The units are in electron charge (e−) and the key is shown for reference.
  2. *The position of each atom is shown in the chemical structure cartoon below the table.
  3. †The oxygen or proton corresponds to 8-oxo-dGTP and dGTP respectively.
  4. ‡Proton corresponds to 8-oxo-dGTP only.
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