a CAS Framework for Predicting the Synthetic Evolution of Anti-Plastic Enzymes

Goal: Promote tight yet specific substrate binding without compromising folding.

C. Dynamical Coherence Score (SdynS_{\text{dyn}})

This is a novel addition inspired by CAS principles. It reflects how well the mutated enzyme:

Maintains smooth folding transitions (low entropy in folding pathways)

Avoids chaotic regimes in conformation space (measured via energy landscape simulation)

Preserves functional motifs across evolution (e.g., conserved catalytic triads)

Could be quantified through:

Bifurcation analysis of folding dynamics

Entropic cost of conformational shifts (path smoothness)

Robustness to random perturbation (S across simulated local minima)

D. Mutation Cost (CmutC_{\text{mut}})