Table 2 Example of the total potential energy of the phosphate Coarse-Grained model calculated from the diatomic distance of the constituent atom group.

From: New damage model for simulating radiation-induced direct damage to biomolecular systems and experimental validation using pBR322 plasmid

Type

Bond

Length (Ã…)

Energy (eV)

Bonded

P–OP1

1.480

− 2.9038

P=OP2

1.482

− 5.6294

P–O5’

1.598

− 3.4339

Non− bonded

OP1–OP2

2.520

− 0.1206

OP1–O5’

2.506

− 0.1246

OP2–O5’

2.463

− 0.1379

Utotal

− 12.3562

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