方法对比
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| 冷冻电镜重构× | 分子对接× | |
|---|---|---|
| 领域 | 生物信息学 | 生物信息学 |
| 方法族 | Process / pipeline | Process / pipeline |
| 起源年份≠ | 1975 | 1982 |
| 提出者≠ | Joachim Frank | Irwin Kuntz |
| 类型≠ | Image reconstruction pipeline | Binding prediction pipeline |
| 开创性文献≠ | Frank, J. (2002). Single-particle imaging of macromolecules by cryo-electron microscopy. Annual Review of Biophysics and Biomolecular Structure, 31, 303-319. DOI ↗ | Kuntz, I. D., Blaney, J. M., Oatley, S. J., Langridge, R., & Ferrin, T. E. (1982). A geometric approach to macromolecule-ligand interactions. Journal of Molecular Biology, 161(2), 269-288. DOI ↗ |
| 别名≠ | cryo-electron microscopy, cryo-EM, single-particle cryo-EM | protein-ligand docking, binding prediction |
| 相关≠ | 3 | 4 |
| 摘要≠ | Cryo-electron microscopy (cryo-EM) determines three-dimensional macromolecular structures at atomic or near-atomic resolution by imaging proteins frozen in vitreous ice. Pioneered by Frank, Henderson, and others, this technique has revolutionized structural biology by enabling visualization of large, non-crystallizable complexes and capturing functional conformational states. | Molecular docking predicts the preferred binding orientation and affinity of a ligand (small molecule) within a protein binding pocket. Pioneered by Kuntz and colleagues in 1982, this computational method searches conformational space to find energetically favorable ligand-protein complexes, enabling rapid screening of chemical libraries for drug discovery. |
| ScholarGate数据集 ↗ |
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