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首页> 外文会议>International Conference on Bioinformatics and Biomedicine Workshops >Sampling Low-energy Protein-protein Configurations with Basin Hopping
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Sampling Low-energy Protein-protein Configurations with Basin Hopping

机译：使用盆地跳跃采样低能量蛋白质 - 蛋白质配置

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Protein assemblies play a central role in cellular organization, signal transduction, ion transportation, and other processes in the living cell. Structural characterization in the wet laboratory is often expensive and time consuming. Computational approaches promise to complement wet-lab efforts in elucidating bound structures of proteins, a problem known as docking. Due to the size and dimensionality of the parametric search space, the problem is computationally challenging. In a somewhat simpler setting of the problem, rigid docking, the primary goal is to obtain low-energy bound configurations from given unbound configurations. These configurations are then often analyzed through different techniques, and a subset of them are selected for further energetic refinement.
机译：蛋白质组件在细胞组织，信号转导，离子运输和活细胞中的其他过程中起着核心作用。湿实验室的结构表征通常昂贵且耗时。计算方法承诺补充湿法实验室措施阐明蛋白质的结合结构，称为对接的问题。由于参数化搜索空间的尺寸和维度，问题是计算性地具有挑战性。在某种程度上更简单地设置问题，刚性对接，主要目标是从给定未结合配置获取低能量绑定配置。然后通常通过不同的技术进行分析这些配置，并选择它们的子集以进一步精力精制。

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