Compositional and environmental dependence of random heteropolymer behavior in solution

Synthetic random heteropolymers (RHPs) have proven capable of protein stabilization and mimicry in a variety of applications. Using MD simulations, we develop a comprehensive view of how RHP statistical sequences behave in solution. Our work shows multiple dynamic modes and heterogeneous surfaces in water, properties which scale predominantly with composition rather than particular sequence motifs. Through an introduction of organic solvents and small molecules, we characterize these statistically derived properties when electrostatic and polar interactions are changed. We observe environmentally-dependent driving forces to compact globular assembly or chain extension with significant activation barriers when transferring to organic solvent. Finally, we demonstrate that mixing solvents and small molecules alter not only the driving forces to assembly, but also introduce high energy interfaces that strongly impact polymer conformation. These results enable predictable modification and processing of these RHPs in addition to providing a synthetic perspective that can relay behavioral relationships back to the biomolecules that inspire them.