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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >The application and use of chemical space mapping to interpret crystallization screening results.
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The application and use of chemical space mapping to interpret crystallization screening results.

机译：应用程序和使用的化学空间映射解释结晶筛选结果。

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摘要

Macromolecular crystallization screening is an empirical process. It often begins by setting up experiments with a number of chemically diverse cocktails designed to sample chemical space known to promote crystallization. Where a potential crystal is seen a refined screen is set up, optimizing around that condition. By using an incomplete factorial sampling of chemical space to formulate the cocktails and presenting the results graphically, it is possible to readily identify trends relevant to crystallization, coarsely sample the phase diagram and help guide the optimization process. In this paper, chemical space mapping is applied to both single macromolecules and to a diverse set of macromolecules in order to illustrate how visual information is more readily understood and assimilated than the same information presented textually.
机译：高分子结晶筛选是一个实证过程。实验与化学多样化鸡尾酒已知样本的化学空间而设计的促进结晶。水晶是一个精致的屏幕设置,优化的条件。不完整的阶乘抽样的化学空间制定鸡尾酒和展现结果图形化,可以很容易识别趋势相关的结晶,粗样品相图和帮助指导优化的过程。空间映射应用于单一大分子和多样化的大分子以说明视觉更容易理解和信息吸收比相同的信息文本。

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