About: Construction of an implicit membrane environment for the lattice Monte Carlo simulation of transmembrane protein

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An Entity of Type : schema:ScholarlyArticle, within Data Space : wasabi.inria.fr associated with source document(s)

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type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
title	Construction of an implicit membrane environment for the lattice Monte Carlo simulation of transmembrane protein
Creator	Chen, Yantao Liu, Jianhong Wang, Mingliang Zhang, Qianling
source	Elsevier; Medline; PMC
abstract	Abstract Due to the complexity of biological membrane, computer simulation of transmembrane protein's folding is challenging. In this paper, an implicit biological membrane environment has been constructed in lattice space, in which the lipid chains and water molecules were represented by the unoccupied lattice sites. The biological membrane was characterized with three features: stronger hydrogen bonding interaction, membrane lateral pressure, and lipophobicity index for the amino acid residues. In addition to the hydrocarbon core spanning region and the water solution, the lipid interface has also been represented in this implicit membrane environment, which was proved to be effective for the transmembrane protein's folding. The associated Monte Carlo simulations have been performed for SARS-CoV E protein and M2 protein segment (residues 18–60) of influenza A virus. It was found that the coil–helix transition of the transmembrane segment occurred earlier than the coil–globule transition of the two terminal domains. The folding process and final orientation of the amphipathic helical block in water solution are obviously influenced by its corresponding hydrophobicity/lipophobicity. Therefore, this implicit membrane environment, though in lattice space, can make an elaborate balance between different driving forces for the membrane protein's folding, thus offering a potential means for the simulation of transmembrane protein oligomers in feasible time.
has issue date	2010-03-31(xsd:dateTime)
bibo:doi	10.1016/j.bpc.2009.12.008
bibo:pmid	20079964
has license	els-covid
sha1sum (hex)	0a9093854e8516041c2c38b8172e3ba5e1541403
schema:url	https://doi.org/10.1016/j.bpc.2009.12.008
resource representing a document's title	Construction of an implicit membrane environment for the lattice Monte Carlo simulation of transmembrane protein
has PubMed Central identifier	PMC7117040
has PubMed identifier	20079964
schema:publication	Biophysical Chemistry
resource representing a document's body	covid:0a9093854e8516041c2c38b8172e3ba5e1541403#body_text
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