Charge repulsions can play a major role in both the assembly of multiple macromolecules and in the conformation of single particles. We will present results for two separate systems, polypeptoids with charged side chains and the pH-responsive polymer, polymethacrylic acid (PMAA). We will discuss how the placement and number of charged side chains influences the aggregation of multiple polypeptoids. For PMAA, we will use constant pH methods to examine the pH response, assessing the importance of hydrophobicity and charge-repulsion on polymer structure. For both systems, the effects of counter ions will be considered.<br/>

Molecular simulations of the assembly and conformation of charged macromolecules

2019 Spring National Meeting

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