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Molecular dynamic simulation of Ca2+‐ATPase interacting with lipid bilayer membrane

(2015) IET NANOBIOTECHNOLOGY. 9(2). p.85-94
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Abstract
In biomedical and drug delivery treatments, protein Ca2+-ATPase in the lipid bilayer ( plasma) membrane plays a key role by reducing multidrug resistance of the cancerous cells. The lipid bilayer membrane and the protein Ca2+-ATPase were simulated by utilising the Gromacs software and by applying the all-atom/united atom and coarse-grained models. The initial structure of Ca2+-ATPase was derived from X-ray diffraction and electron microscopy patterns and was placed in a simulated bilayer membrane of dipalmitoylphosphatidylcholine. The conformational changes were investigated by evaluating the root mean square deviation, root mean square fluctuation, order parameter, diffusion coefficients, partial density, thickness and area per lipid.
Keywords
COARSE-GRAINED MODEL, PLASMA-MEMBRANE, FORCE-FIELD, LATERAL DIFFUSION, CALCIUM, PROTEINS, EXPRESSION

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MLA
Davoudi, Samaneh, et al. “Molecular Dynamic Simulation of Ca2+‐ATPase Interacting with Lipid Bilayer Membrane.” IET NANOBIOTECHNOLOGY, vol. 9, no. 2, 2015, pp. 85–94, doi:10.1049/iet-nbt.2013.0073.
APA
Davoudi, S., Amjad‐Iranagh, S., & Zaeifi Yamchi, M. (2015). Molecular dynamic simulation of Ca2+‐ATPase interacting with lipid bilayer membrane. IET NANOBIOTECHNOLOGY, 9(2), 85–94. https://doi.org/10.1049/iet-nbt.2013.0073
Chicago author-date
Davoudi, Samaneh, Sepideh Amjad‐Iranagh, and Mahdi Zaeifi Yamchi. 2015. “Molecular Dynamic Simulation of Ca2+‐ATPase Interacting with Lipid Bilayer Membrane.” IET NANOBIOTECHNOLOGY 9 (2): 85–94. https://doi.org/10.1049/iet-nbt.2013.0073.
Chicago author-date (all authors)
Davoudi, Samaneh, Sepideh Amjad‐Iranagh, and Mahdi Zaeifi Yamchi. 2015. “Molecular Dynamic Simulation of Ca2+‐ATPase Interacting with Lipid Bilayer Membrane.” IET NANOBIOTECHNOLOGY 9 (2): 85–94. doi:10.1049/iet-nbt.2013.0073.
Vancouver
1.
Davoudi S, Amjad‐Iranagh S, Zaeifi Yamchi M. Molecular dynamic simulation of Ca2+‐ATPase interacting with lipid bilayer membrane. IET NANOBIOTECHNOLOGY. 2015;9(2):85–94.
IEEE
[1]
S. Davoudi, S. Amjad‐Iranagh, and M. Zaeifi Yamchi, “Molecular dynamic simulation of Ca2+‐ATPase interacting with lipid bilayer membrane,” IET NANOBIOTECHNOLOGY, vol. 9, no. 2, pp. 85–94, 2015.
@article{8691673,
  abstract     = {In biomedical and drug delivery treatments, protein Ca2+-ATPase in the lipid bilayer ( plasma) membrane plays a key role by reducing multidrug resistance of the cancerous cells. The lipid bilayer membrane and the protein Ca2+-ATPase were simulated by utilising the Gromacs software and by applying the all-atom/united atom and coarse-grained models. The initial structure of Ca2+-ATPase was derived from X-ray diffraction and electron microscopy patterns and was placed in a simulated bilayer membrane of dipalmitoylphosphatidylcholine. The conformational changes were investigated by evaluating the root mean square deviation, root mean square fluctuation, order parameter, diffusion coefficients, partial density, thickness and area per lipid.},
  author       = {Davoudi, Samaneh and Amjad‐Iranagh, Sepideh and Zaeifi Yamchi, Mahdi},
  issn         = {1751-8741},
  journal      = {IET NANOBIOTECHNOLOGY},
  keywords     = {COARSE-GRAINED MODEL,PLASMA-MEMBRANE,FORCE-FIELD,LATERAL DIFFUSION,CALCIUM,PROTEINS,EXPRESSION},
  language     = {eng},
  number       = {2},
  pages        = {85--94},
  title        = {Molecular dynamic simulation of Ca2+‐ATPase interacting with lipid bilayer membrane},
  url          = {http://dx.doi.org/10.1049/iet-nbt.2013.0073},
  volume       = {9},
  year         = {2015},
}

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