1. Self-Assemblyof Phenylalanine-Based Molecules.
- Author
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German, Helen W., Uyaver, Sahin, and Hansmann, and Ulrich H. E.
- Subjects
- *
MOLECULAR self-assembly , *PHENYLALANINE , *MOLECULAR dynamics , *PHENYLKETONURIA , *NANOTUBES - Abstract
Using molecular dynamics,we study the self-assembly of phenylalanine with charged end-groupsat various temperatures and concentrations. As in the case of diphenylalanine,we observe the formation of nanotubes; however, phenylalanine aggregatesin layers of four, not six, molecules. The observed aggregates areconsistent with recent experimental measurements of fibrils obtainedfrom mice with phenylketonuria. We investigate the stability and themechanism by which these tubular structures form and discuss potentialtoxicity mechanisms. [ABSTRACT FROM AUTHOR]
- Published
- 2015
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