German, H.W.Uyaver, ŞahinHansmann, Ulrich H. E.2020-11-212020-11-2120151089-5639https://doi.org/10.1021/jp5077388https://hdl.handle.net/11467/3684PubMed ID: 25347763Using molecular dynamics, we study the self-assembly of phenylalanine with charged end-groups at various temperatures and concentrations. As in the case of diphenylalanine, we observe the formation of nanotubes; however, phenylalanine aggregates in layers of four, not six, molecules. The observed aggregates are consistent with recent experimental measurements of fibrils obtained from mice with phenylketonuria. We investigate the stability and the mechanism by which these tubular structures form and discuss potential toxicity mechanisms. © 2014 American Chemical Society.eninfo:eu-repo/semantics/closedAccessArticle119916091615Q2WOS:000350840800021Q22-s2.0-849242632402534776310.1021/jp5077388