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Updated: Jul 12, 2026

Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin
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通过选择最佳蛋白质晶体形式来提高晶体片选结果

Tatjana Barthel1, Jan Wollenhaupt1,2, Laila S Benz1

  • 1Macromolecular Crystallography Helmholtz-Zentrum Berlin Berlin Germany.

Small science
|March 11, 2026
PubMed
概括

在药物发现中,选择正确的蛋白质晶体形式对于成功的晶体碎片选 (CFS) 是至关重要的. 优化晶体形式显著提高了识别潜在药物候选者的命中率.

关键词:
在SARS-CoV-2中.晶体形式的水晶形式在水晶浸泡中浸泡.晶体学碎片选选 晶体学碎片选发现药物的发现.主要蛋白质酶的主要蛋白质酶空间组空间组的空间.

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相关概念视频

X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal crystal...