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. 2021 Jun 11;10(6):704. doi: 10.3390/antibiotics10060704

Table 2.

Global energy, attractive and repulsive van der Waals forces, atomic contact energy, and ΔG expressed in Kcal/mol calculated for the FtsZ-TL peptide complexes at 25 °C.

Protein-Peptide Complex Global Energy (Kcal/mol) Attractive Van der Waals Forces (KJ/mol) Repulsive Van der Waals Forces (KJ/mol)
FtsZ−TL −40.54 −18.63 5.71
FtsZ−TRIL
(FVKWFKKFLTRIL)
−26.84 −30.69 18.88
FtsZ−TRILF
(FVKWFKKFLTRILF)
−30.99 −46.97 24.35

The substituted amino acids are indicated in bold.