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Modeling of Biological Nanostructured Surfaces

机译:生物纳米结构表面的建模

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摘要

The paper presents a methodology using atom or amino acid hydrophobicities to describe the surface properties of proteins in order to predict their interactions with other proteins and with artificial nanostructured surfaces. A standardized pattern is built around each surface atom of the protein for a radius depending on the molecule type and size. The atom neighborhood is characterized in terms of the hydrophobicity surface density. A clustering algorithm is used to classify the resulting patterns and to identify the possible interactions. The methodology has been implemented in a software package based on Java technology deployed in a Linux environment.
机译:本文提出了一种使用原子或氨基酸疏水性描述蛋白质表面性质的方法,以预测蛋白质与其他蛋白质以及与人工纳米结构表面的相互作用。根据分子类型和大小,围绕蛋白质的每个表面原子建立一个半径为一个半径的标准化模式。原子邻域的特征在于疏水性表面密度。聚类算法用于分类结果模式并识别可能的交互。该方法已在基于Linux环境中部署的Java技术的软件包中实现。

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