Using all-atom MD simulations to quantify perturbations to the PC190723-binding pocket due to re-sistance-inducing mutations, we have provided an indirect assessment of PC190723 binding affinity that can be used as a point of comparison for at least two relevant applications.

However, the significance of Pocket-FEATURE scores for binding affinity has only been loosely correlated.

Pocket similarity score predicts that polymerization increases PC190723 binding affinity .

This observation suggests that conformational changes associated with nucleotide binding may tune the binding affinity of PC190723 for FtsZ; no GTP-bound SaFtsZ structures exist, leaving it unclear whether GTP hydrolysis significantly affects pocket score.

The CLS corresponds to that step where the concentration of the accelerator is limited compared to its binding affinity but the free concentration of accelerators in reactions after the CLS are in excess compared to their bound concentrations.

However, a non-This form for mass conservation can be achieved if the concentration of X2 is limited with respect to its binding affinity , i.e., q2[X2] < <1, while the other factors are not limited.

Hence, the CLS is a step where the accelerator concentration is limited with respect to its binding affinity but the accelerator(s) following it are not limited.