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

Integration of thermodynamic principles and probabilistic mutation logic

Discussion on emergence, bifurcation, and phase transitions in biomolecular systems

3. Systemic Modeling of Enzyme Evolution

Graph-based modeling of residue-residue interactions

Representing folding pathways and mutation networks as adaptive topologies

Metrics for emergent function prediction (binding energy, catalysis efficiency)

4. Synthetic Evolution Simulation Architecture

Designing an in silico evolution engine using CAS principles

Incorporation of reinforcement learning agents as mutation drivers

Scoring function based on systemic stability and substrate affinity

5. Case Study: Evolving Synthetic PETase Variants