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Pair distributions and membrane-mediated interactions of arc-shaped particles on spherical and tubular vesicles

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doi.org2024-07-11 更新2025-01-15 收录
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https://doi.org/10.17617/3.DIF595
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This dataset contains data from Monte Carlo simulations of triangulated membrane vesicles with segmented, bound arc-shaped particles of two different sizes (in hdf5 format) and Mathematica notebooks to determine pair distributions, 2-dimensional free energy landscapes, and 1-dimensional energy profiles from the data, and to visualise the results. In the Monte Carlo simulations, the tubular or spherical shapes of the membrane vesicles are pre-determined by the volume-to-area ratio of the vesicles. In the Mathematica notebooks, the curvature-mediated pair interaction free energies and energies are calculated for the different vesicle shapes at three different area coverages x of the bound particles.

本数据集囊括了基于蒙特卡洛模拟的三角化膜囊泡数据,囊泡内含有两种不同尺寸的弧形颗粒,并附有分段的、结合的颗粒,数据以 HDF5 格式存储。此外,还包括 Mathematica 笔记本,用于从数据中确定对分布、二维自由能景观和一维能量分布,并对结果进行可视化。在蒙特卡洛模拟中,膜囊泡的管状或球形形状由囊泡的体积与面积比预先确定。Mathematica 笔记本中计算了不同囊泡形状在三种不同颗粒面积覆盖率 x 条件下的曲率介导的对颗粒相互作用自由能和能量。
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