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. 2021 Jul 27;9(1):46. doi: 10.1007/s40203-021-00103-z

Table 5.

Energy minimization values of the final two docked complexes

Viral strain APD3 ID Steepest Descents converged to Fmax < 1000 Potential Energy (kJ/mol) Maximum force Norm of force
SARS AP00180 1840 steps − 4.4924025e + 06 9.9176465e + 02 on atom 9544 1.1767879e + 01
SARS-CoV-2 AP00549 1758 steps − 2.7867188e + 06 9.3732727e + 02 on atom 1880 1.1762753e + 01