The behavior of collagen-like molecules in response to different temperature setting methods in steered molecular dynamic simulation다른 온도 조절 상태에서 분자 동역학에서 콜라겐 단백질의 거동
- Other Titles
- 다른 온도 조절 상태에서 분자 동역학에서 콜라겐 단백질의 거동
- Authors
- 윤영준; 조강희; 한석영
- Issue Date
- Oct-2020
- Publisher
- 한국정보전자통신기술학회
- Keywords
- molecular dynamics; collagen; stress-strain curve; constant temperature; viscoelasticity
- Citation
- 한국정보전자통신기술학회 논문지, v.13, no.5, pp.397 - 402
- Indexed
- KCI
- Journal Title
- 한국정보전자통신기술학회 논문지
- Volume
- 13
- Number
- 5
- Start Page
- 397
- End Page
- 402
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/2014
- DOI
- 10.17661/jkiiect.2020.13.5.397
- ISSN
- 2005-081X
- 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.
- Files in This Item
-
Go to Link
- Appears in
Collections - 서울 공과대학 > 서울 기계공학부 > 1. Journal Articles
- 서울 공과대학 > 서울 공학교육혁신센터 > 1. Journal Articles
![qrcode](https://api.qrserver.com/v1/create-qr-code/?size=55x55&data=https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/2014)
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.