In SilicoStudy of the Early Stages of Aggregation ofβ-Sheet Forming Antimicrobial Peptide GL13K
Mohammadreza Niknam Hamidabad,
Natalya A. Watson,
Lindsay N. Wright
et al.
Abstract:Antimicrobial peptides (AMPs) are of growing interest as potential candidates for antibiotics to which antimicrobial resistance increases slowly. In this article, we perform the first in silico study of the synthetic β sheet-forming AMP GL13K. Through atomistic simulations of single and multi-peptide systems under different charge conditions, we are able to shine a light on the short timescales of early aggregation. We find that isolated peptide conformations are primarily dictated by sequence rather than char… Show more
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