The behavior of collagen-like molecules in response to different temperature setting methods in steered molecular dynamic simulation
DC Field | Value | Language |
---|---|---|
dc.contributor.author | 윤영준 | - |
dc.contributor.author | 조강희 | - |
dc.contributor.author | 한석영 | - |
dc.date.accessioned | 2021-07-30T04:54:35Z | - |
dc.date.available | 2021-07-30T04:54:35Z | - |
dc.date.created | 2021-05-13 | - |
dc.date.issued | 2020-10 | - |
dc.identifier.issn | 2005-081X | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/2014 | - |
dc.description.abstract | Collagen type I is the most abundant protein in the human body. It shows viscoelastic behavior, which is what confers tendons with their viscoelastic properties. There are two different temperature setting methods in molecular dynamics simulations, namely rescaling and reassignment. The rescaling method maintains the temperature by scaling the given temperature, while the reassignment method sets the temperature according to a Maxwell distribution at the target temperature. We observed time-dependent behavior when the reassignment method was applied in tensile simulation, but not when the rescaling method was applied. Time-dependent behavior was observed only when the reassignment method was applied or when one side of the collagen molecule was stretched to a greater extent than the other side. As result, the collagen is elongated to 80nm, 100nm, 130nm, and 180nm, respectively, when the collagen is pulled by different velocities, 0.5, 1, 2, and 5 Å/ps, up to 40 Å. The results do not provide a detailed physical explanation, but the phenomena illustrated in this result are important for caution when further simulations are performed. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | 한국정보전자통신기술학회 | - |
dc.title | The behavior of collagen-like molecules in response to different temperature setting methods in steered molecular dynamic simulation | - |
dc.title.alternative | 다른 온도 조절 상태에서 분자 동역학에서 콜라겐 단백질의 거동 | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | 윤영준 | - |
dc.contributor.affiliatedAuthor | 한석영 | - |
dc.identifier.doi | 10.17661/jkiiect.2020.13.5.397 | - |
dc.identifier.bibliographicCitation | 한국정보전자통신기술학회 논문지, v.13, no.5, pp.397 - 402 | - |
dc.relation.isPartOf | 한국정보전자통신기술학회 논문지 | - |
dc.citation.title | 한국정보전자통신기술학회 논문지 | - |
dc.citation.volume | 13 | - |
dc.citation.number | 5 | - |
dc.citation.startPage | 397 | - |
dc.citation.endPage | 402 | - |
dc.type.rims | ART | - |
dc.identifier.kciid | ART002640608 | - |
dc.description.journalClass | 2 | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | kci | - |
dc.subject.keywordAuthor | molecular dynamics | - |
dc.subject.keywordAuthor | collagen | - |
dc.subject.keywordAuthor | stress-strain curve | - |
dc.subject.keywordAuthor | constant temperature | - |
dc.subject.keywordAuthor | viscoelasticity | - |
dc.identifier.url | https://www.dbpia.co.kr/journal/articleDetail?nodeId=NODE10481787 | - |
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.
222, Wangsimni-ro, Seongdong-gu, Seoul, 04763, Korea+82-2-2220-1365
COPYRIGHT © 2021 HANYANG UNIVERSITY.
Certain data included herein are derived from the © Web of Science of Clarivate Analytics. All rights reserved.
You may not copy or re-distribute this material in whole or in part without the prior written consent of Clarivate Analytics.