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Aggregation Behavior of Structurally Similar Therapeutic Peptides Investigated by (1)H NMR and All-Atom Molecular Dynamics Simulations

[Image: see text] Understanding of peptide aggregation propensity is an important aspect in pharmaceutical development of peptide drugs. In this work, methodologies based on all-atom molecular dynamics (AA-MD) simulations and (1)H NMR (in neat H(2)O) were evaluated as tools for identification and in...

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Detalles Bibliográficos
Autores principales:	Hjalte, Johanna, Hossain, Shakhawath, Hugerth, Andreas, Sjögren, Helen, Wahlgren, Marie, Larsson, Per, Lundberg, Dan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8905580/ https://www.ncbi.nlm.nih.gov/pubmed/35104408 http://dx.doi.org/10.1021/acs.molpharmaceut.1c00883

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