Prediction of Aggregation of Biologically-Active Peptides with the UNRES Coarse-Grained Model

The UNited RESidue (UNRES) model of polypeptide chains was applied to study the association of 20 peptides with sizes ranging from 6 to 32 amino-acid residues. Twelve of those were potentially aggregating hexa- or heptapeptides excised from larger proteins, while the remaining eight contained potent...

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發表在:	Biomolecules
Main Authors:	Iga Biskupek, Cezary Czaplewski, Justyna Sawicka, Emilia Iłowska, Maria Dzierżyńska, Sylwia Rodziewicz-Motowidło, Adam Liwo
格式:	Article
語言:	英语
出版:	MDPI AG 2022-08-01
主題:	peptide aggregation molecular dynamics replica exchange UNRES model
在線閱讀:	https://www.mdpi.com/2218-273X/12/8/1140