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Table 1 The interaction energies (kJ/mol) for all the possible dimers formed between acetamide and phosphate group and those between acetamide and nitrogen bases

From: Carbon nanoparticles induce DNA repair and PARP inhibitor resistance associated with nanozyme activity in cancer cells

DNA

CNPs

Position

Rotamer

ΔH/(kJ/mol)

DMPhH

Am

  

− 47.3

DMPh−

Am

 

A

− 13.7

   

B

− 15.1

A

Am

1

 

− 14.6

  

2

 

− 15.0

  

3

 

− 6.1

  

4

 

− 7.6

C

Am

1

 

− 17.1

  

2

A

− 9.4

  

2

A

− 13.0

  

2

B

− 10.2

G

Am

1

A

− 5.7

  

1

B

− 7.2

  

2

 

− 14.7

  

3

 

− 4.3

  

4

 

− 18.8

T

Am

1

 

− 21.7

  

2

 

− 21.1

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Cancer Nanotechnology

ISSN: 1868-6966

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