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Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.1c04960
Abstract: We focus on the concentration dependency of fibril-forming peptides, which have the potential of aggregation by themselves. In this study, we performed replica-exchange molecular dynamics simulations of Lys-Phe-Phe-Glu (KFFE) fragments, which are known to form…
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Keywords:
structure;
fibril forming;
concentration;
forming peptides ... See more keywords
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Published in 2020 at "Frontiers in Bioengineering and Biotechnology"
DOI: 10.3389/fbioe.2020.00532
Abstract: Understanding the conformational dynamics of proteins and peptides involved in important functions is still a difficult task in computational structural biology. Because such conformational transitions in β-amyloid (Aβ) forming peptides play a crucial role in…
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Keywords:
forming peptides;
conformational dynamics;
peptides computational;
dynamics amyloid ... See more keywords