| AFB1 | aflatoxin (Aspergillus flavus toxin) B1 |
| a | α-FAPy-N7-9-hydroxy-AFB1 |
| b | β-FAPy-N7-9-hydroxy-AFB1 |
| g | Gua |
| AFB1-E | exo-8,9-epoxide of AFB1 |
| dsDNA | double-stranded DNA |
| ΔΔG | relative free energy of dsDNA formation |
| ΔG | contribution of a probe (g, a, or b) to the absolute free energy of dsDNA formation |
| EMD | equilibrating MD simulation |
| FAPy | formamidopyrimidine |
| LIE | linear interaction energy |
| LRA | linear response approximation |
| MD | molecular dynamics |
| PMD | producing MD simulation |
| ssDNA | single-stranded DNA |
| Tm | melting temperature |
| WC | Watson-Crick |
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