通过将深度学习增强的地图处理与全球本地优化相结合,将原子结构安装到冷EM地图中
Yaxian Cai1, Ziying Zhang1, Xiangyu Xu1
1College of Information Engineering, Zhejiang University of Technology, Hangzhou 310023, China.
Journal of chemical information and modeling
|March 28, 2025
概括
DEMO-EMfit准确地将原子结构与冷电子显微镜 (cryo-EM) 密度图相匹配. 这种新方法改进了现有的冷电磁和冷电子断层扫描 (cryo-ET) 数据中的结构拟合技术.
科学领域:
- 结构生物学是结构生物学.
- 生物物理学的生物物理.
- 计算生物学是一种计算生物学.
背景情况:
- 从冷电子显微镜 (cryo-EM) 密度图中准确构建原子模型至关重要.
- 结构与地图相匹配的精度直接影响最终原子模型的质量.
研究的目的:
- 引入DEMO-EMfit,这是一种用于将原子结构融入冷电磁密度图中的新型渐进方法.
- 为了提高原子模型的准确性和效率,在冷-EM和冷电子断层扫描 (cryo-ET) 中建立原子模型.
主要方法:
- DEMO-EMfit集成了基于深度学习的骨干地图提取.
- 它采用全球-本地结构性姿势搜索,以获得精确的合适.
- 该方法在不同的基准数据集上得到了验证.
主要成果:
- 与最先进的方法相比,DEMO-EMfit表现出卓越的性能.
- 该工具在各种cryo-EM和cryo-ET图表中被证明是高效和准确的.
- 蛋白质和核酸复合体的成功安装得到了实现.
结论:
- DEMO-EMfit为冷EM数据的结构拟合提供了显著的进步.
- 该方法为原子模型构建提供了可靠和高效的解决方案.
- 它是结构生物学和相关领域的研究人员的一个有价值的工具.
相关概念视频
Atomic Structure
All matter is composed of atoms, the smallest individual units of elements. Each atom is made up of three subatomic particles: protons, neutrons, and electrons. Together, these three particles account for the mass and the charge of an atom.The History of Atomic TheoryThe first person to propose that everything on Earth is made up of tiny particles was the Greek philosopher Democritus, around 450 B.C. He used the term atomos, Greek for “indivisible,” from which the modern term “atom” is derived.
Atomic Structure
The Greek philosopher Democritus proposed that everything on Earth is made up of tiny particles called atomos, Greek for "indivisible," from which the modern term "atom" is derived. In the 19th century, John Dalton proposed the atomic theory that is still largely correct today. He put forth five postulates to explain how atoms made up the world around us. (1) All matter is composed of infinitely small particles or atoms. (2) All atoms of a given element are identical to one another and (3) are...


