Diverse Aggregation Kinetics Predicted by a Coarse-Grained Peptide Model.

ABSTRACT: Protein and peptide aggregation is a ubiquitous phenomenon with implications in medicine, pharmaceutical industry, and materials science. An important issue in peptide aggregation is the molecular mechanism of aggregate nucleation and growth. In many experimental studies, sigmoidal kinetics curves show a clear lag phase ascribed to nucleation; however, experimental studies also show downhill kinetics curves, where the monomers decay continuously and no lag phase can be seen. In this work, we study peptide aggregation kinetics using a coarse-grained implicit solvent model introduced in our previous work. Our simulations explore the hypothesis that the interplay between interchain attraction and intrachain bending stiffness controls the aggregation kinetics and transient aggregate morphologi

SUBMITTER: Szala-Mendyk B 

PROVIDER: S-EPMC8389928 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature