Molecular dynamics simulation of interlayer water embedded in phospholipid bilayer
- Authors
- Han, Won Bae; Kim, Suk Jun; An, Hyeun Hwan; Kim, Hee-Soo; Kim, Yongdeok; Yoon, Chong Seung
- Issue Date
- Mar-2014
- Publisher
- ELSEVIER SCIENCE BV
- Keywords
- Lipid bilayer; Interlayer water; Molecular dynamics simulation
- Citation
- MATERIALS SCIENCE & ENGINEERING C-MATERIALS FOR BIOLOGICAL APPLICATIONS, v.36, pp.49 - 56
- Indexed
- SCIE
SCOPUS
- Journal Title
- MATERIALS SCIENCE & ENGINEERING C-MATERIALS FOR BIOLOGICAL APPLICATIONS
- Volume
- 36
- Start Page
- 49
- End Page
- 56
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/26527
- DOI
- 10.1016/j.msec.2013.11.033
- ISSN
- 0928-4931
- Abstract
- 1,2-dioleoyl-sn-glycero-3-phosphocholine lipid bilayer with a thin layer of water molecules inserted in the hydrophobic region was simulated at 300 K to observe the pore structure formation during escape of the water molecules from the hydrophobic region. The transformation of the water slab into a cylindrical droplet in the hydrophobic region, which locally deformed the lipid monolayer, was prerequisite to the pore formation. If the thickness of the interlayer water was increased beyond a critical value, the local deformation was suppressed as such deformation would rupture the lipid bilayer. Hence, it was demonstrated that the pore structure formation or local permeability of the lipid membrane is closely related to the rigidity of the lipid membrane. (C) 2013 Elsevier B.V. All rights reserved.
- Files in This Item
- There are no files associated with this item.
- Appears in
Collections - 서울 공과대학 > 서울 신소재공학부 > 1. Journal Articles
![qrcode](https://api.qrserver.com/v1/create-qr-code/?size=55x55&data=https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/26527)
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.