Computational design of functional random heteropolymers through atomistic simulations

Tianyi Jin1,2, Collin S Lung1, Ting Xu3,4,5,6

  • 1Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, United States of America.

Plos One
|March 18, 2026
PubMed
Summary

Researchers explored how chemical composition and monomer structure affect random heteropolymers (RHPs). They found specific interactions drive RHP assembly and hydration, offering design principles for protein-mimicking polymers.

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