Precision Design of Sequence‐Defined Polyurethanes: Exploring Controlled Folding Through Computational Design
Svetlana Samokhvalova,
Jean‐François Lutz,
Ivan Coluzza
Abstract:This study presents the exploration of sequence‐defined polyurethanes (PUs) as a new class of heteropolymers capable of precise conformational control. Utilizing molecular dynamics simulations, the folding behavior of polyurethane chains is investigated of varying lengths (11, 20, and 50 monomers) in both vacuum and aqueous environments. The simulations reveal that the heterogeneous chains systematically refold to approach the designed target structures better than non‐designed chains or chains with artificial… Show more
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