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. 2026 Jun 4;16:17336. doi: 10.1038/s41598-026-53122-1

Table 13.

Binding energies of palladium (II)-complex.

Ligand Receptor Interaction Distance (Å) E (kcal/mol)
S 7 O ILE 192 (A) H-donor 3.68 -0.6
CL 13 SD MET 159 (A) H-donor 4.25 0.0
N 3 N ILE 192 (A) H-acceptor 3.32 -3.0
CL 13 OH TYR 156 (A) H-acceptor 3.42 -0.3
CL 14 CE LYS 163 (A) H-acceptor 3.75 -0.2
C 21 6-ring TYR 146 (A) H-pi 3.99 -0.3
6-ring CD1 ILE 20 (A) pi-H 4.61 -0.2