Hideo Doi, Yushi Osada, Yusuke Tachino, Koji Okuwaki, M. Goh, Ryugo Tero, Yuji Mochizuki
{"title":"DPD simulation to reproduce lipid membrane microdomains based on fragment molecular orbital calculations","authors":"Hideo Doi, Yushi Osada, Yusuke Tachino, Koji Okuwaki, M. Goh, Ryugo Tero, Yuji Mochizuki","doi":"10.35848/1882-0786/ad4955","DOIUrl":null,"url":null,"abstract":"\n Lipid domains play a critical role in signal transduction and transport across cell membranes. The formation of domains in \"HLC\" ternary lipid bilayers composed of high transition temperature (high-Tm) lipids, low-Tm lipids, and cholesterol (Chol) has been extensively studied as a raft-like system. Recently, experiments were performed to control the formation of submicron domains in LLC lipid bilayers containing low-Tm phosphatidylethanolamine (PE), low-Tm phosphatidylcholine (PC), and Chol by manipulating the presence or absence of Chol. The formation of microdomains in this LLC mixture was replicated by dissipative particle dynamics (DPD) simulation. The results show that domain formation can be replicated.","PeriodicalId":8093,"journal":{"name":"Applied Physics Express","volume":null,"pages":null},"PeriodicalIF":2.3000,"publicationDate":"2024-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Applied Physics Express","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.35848/1882-0786/ad4955","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, APPLIED","Score":null,"Total":0}
引用次数: 0
Abstract
Lipid domains play a critical role in signal transduction and transport across cell membranes. The formation of domains in "HLC" ternary lipid bilayers composed of high transition temperature (high-Tm) lipids, low-Tm lipids, and cholesterol (Chol) has been extensively studied as a raft-like system. Recently, experiments were performed to control the formation of submicron domains in LLC lipid bilayers containing low-Tm phosphatidylethanolamine (PE), low-Tm phosphatidylcholine (PC), and Chol by manipulating the presence or absence of Chol. The formation of microdomains in this LLC mixture was replicated by dissipative particle dynamics (DPD) simulation. The results show that domain formation can be replicated.
期刊介绍:
Applied Physics Express (APEX) is a letters journal devoted solely to rapid dissemination of up-to-date and concise reports on new findings in applied physics. The motto of APEX is high scientific quality and prompt publication. APEX is a sister journal of the Japanese Journal of Applied Physics (JJAP) and is published by IOP Publishing Ltd on behalf of the Japan Society of Applied Physics (JSAP).