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Natural rubber is a biomaterial with unique physical and chemical features that are indispensable for many industrial applications. It is widely accepted that the α-terminal groups of its biopolymer molecules play a critical role in its exceptional characteristics. Herein, we used molecular dynamics to model recently structurally defined α-terminal groups and their interaction with  l -quebrachitol, which is the second most common compound found in natural rubber particles.

Computational study of the interaction between natural rubber α-terminal groups and l-quebrachitol, one of the major components of natural rubber