Self-assembly simulation of M13 bacteriophage capsid proteins using coarse-graining model

Title
Self-assembly simulation of M13 bacteriophage capsid proteins using coarse-graining model
Authors
정환원오정수김성진김찬수
Issue Date
2013-01
Publisher
ISNIT 2013
Abstract
• A coarse graining (CG) model of the capsid protein and single-stranded (ss) DNA in M13 filamentous bacteriophage was used to predict their self-assembly process. • All-atom structures of the capsid protein and ss DNA were mapped to the CG model with beads using Martini force field. With this CG model, We performed molecular dynamics simulations to investigate the self-assembly and interaction dynamics of the capsid proteins. • Two essential interactions were the attraction between the protein's basic domain and the phosphate backbone of the ss DNA, the entropic gain due to the stacking of the capsid's hydrophobic domains.
URI
http://pubs.kist.re.kr/handle/201004/44634
Appears in Collections:
KIST Publication > Conference Paper
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