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. 2020 Nov 13;8:e10276. doi: 10.7717/peerj.10276

Table 4. Molecular docking energies of ASNases.

ASNase Free energy binding (kcal/mol) Inter-molecular energy (kcal/mol) Van der Waals—hydrogen bonds (kcal/mol) Electrostatic
energy (kcal/mol)
Hydrogen bonds
E. coli EcAII; tetramer −9.81 −11.30 −5.88 −3.61 9
E. coli EcAII; monomer −8.46 −9.95 −7.02 −2.35 6
S. scabrisporus WP_078980718.1 – site A −6.67 −8.17 −5.25 −2.91 6
S. scabrisporus WP_078980718.1 – site B −4.62 −6.11 −4.39 −1.72 2