论文标题
蛋白质诱导的膜形态的计算模型，具有地质曲率驱动的蛋白质膜界面
A Computational Model of Protein Induced Membrane Morphology with Geodesic Curvature Driven Protein-Membrane Interface
论文作者
论文摘要
嵌入蛋白诱导的双层膜形态动力学的连续性或杂化模型需要鉴定蛋白质 - 膜界面并偶联两个表面的变形。在本文中，我们开发了（i）最小的总测量曲率模型来描述这些接口，以及（ii）通过每个表面对公共中间环的共形映射在两个表面之间的数值一对映射。我们的工作提供了第一种可计算方法，用于确定双层和嵌入式蛋白之间的接口。一对一的映射允许方便地耦合两个表面的形态。我们将这两个新的发展集成到了蛋白质 - 膜相互作用的能量模型中，并为耦合系统开发了完整的数值方法。提出了数值示例，以证明（1）我们方法在高度复杂的蛋白质表面上以最小的总测量曲率定位曲线的效率和鲁棒性，（2）这些接口作为膜变形的内部边界的有用性，以及（3）Bilayer coptace的丰富形式的质量质量素质的质量素质的质量不同。
Continuum or hybrid modeling of bilayer membrane morphological dynamics induced by embedded proteins necessitates the identification of protein-membrane interfaces and coupling of deformations of two surfaces. In this article we developed (i) a minimal total geodesic curvature model to describe these interfaces, and (ii) a numerical one-one mapping between two surface through a conformal mapping of each surface to the common middle annulus. Our work provides the first computational tractable approach for determining the interfaces between bilayer and embedded proteins. The one-one mapping allows a convenient coupling of the morphology of two surfaces. We integrated these two new developments into the energetic model of protein-membrane interactions, and developed the full set of numerical methods for the coupled system. Numerical examples are presented to demonstrate (1) the efficiency and robustness of our methods in locating the curves with minimal total geodesic curvature on highly complicated protein surfaces, (2) the usefulness of these interfaces as interior boundaries for membrane deformation, and (3) the rich morphology of bilayer surfaces for different protein-membrane interfaces.
