Deciphering amino acid adsorption on PVC surface: insights from molecular dynamics and PMF calculations

Summary

Molecular dynamics simulations were used to model how individual amino acids adsorb onto PVC plastic surfaces, providing atomic-level insight into how proteins and biological molecules interact with a ubiquitous plastic pollutant. Understanding these interactions is relevant to assessing how microplastics may alter the behavior of biomolecules once ingested by organisms, with implications for understanding the biological effects of plastic exposure.