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Lipid Force Field Parameterization for Improved Modeling of Ion-lipid Interactions and Ether Lipids, and Evaluation of the Effects of Long-range Lennard-Jones Interactions on Alkanes

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서명/저자사항Lipid Force Field Parameterization for Improved Modeling of Ion-lipid Interactions and Ether Lipids, and Evaluation of the Effects of Long-range Lennard-Jones Interactions on Alkanes.
개인저자Leonard, Alison N.
단체저자명University of Maryland, College Park. Biophysics (BIPH).
발행사항[S.l.]: University of Maryland, College Park., 2019.
발행사항Ann Arbor: ProQuest Dissertations & Theses, 2019.
형태사항180 p.
기본자료 저록Dissertations Abstracts International 81-05B.
Dissertation Abstract International
ISBN9781088393628
학위논문주기Thesis (Ph.D.)--University of Maryland, College Park, 2019.
일반주기 Source: Dissertations Abstracts International, Volume: 81-05, Section: B.
Advisor: Klauda, Jeffery B.
이용제한사항This item must not be sold to any third party vendors.
요약Chemical specificity of lipid models used in molecular dynamics simulations is essential to accurately represent the complexity and diversity of biological membranes. This dissertation discusses contributions to the CHARMM36 (C36) family of lipid force fields, including a revised model for the glycerol-ether linkage found in plasmalogens and archaeal membranes
일반주제명Biophysics.
Biochemistry.
Biomedical engineering.
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