The Many Faces of Structure-Based Potentials: From Protein Folding Landscapes to Structural Characterization of Complex Biomolecules

The Many Faces of Structure-Based Potentials: From Protein Folding Landscapes to Structural Characterization of Complex Biomolecules
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基于结构的潜力的多面性:从蛋白质折叠景观到复杂生物分子的结构表征

DOI:
10.1007/978-1-4614-2146-7_2
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发表时间:
2012
期刊:
Papua and New Guinea medical journal
影响因子:
--
通讯作者:
J. Onuchic
J. Onuchic
中科院分区:
--
文献类型:
--
作者:
J. Noel;J. Onuchic

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结构生物学技术,如核磁共振(核磁共振)、X射线结晶学和低温电子显微镜(Cryo-EM),为了解生物分子系统的功能结构细节提供了非凡的见解。X射线结晶学和低温电子显微镜的最新进展使得核糖体、蛋白酶体和剪接体等大分子机器的结构表征成为可能。这种结构数据的洪流已经得到了能够探测动态信息的实验技术的补充,例如福斯特共振能量转移(FRET)和停流光谱分析。虽然这些实验研究为生物分子系统的动力学提供了巨大的洞察力,但往往很难将低分辨率的动力学数据与高分辨率的结构数据结合成一致的图像。这些生物分子系统的计算机模拟将静态结构数据与原子分辨率的动态实验联系起来(图1)。
Structural biology techniques, such as nuclear magnetic resonance (NMR), x-ray crystallography, and cryogenic electron microscopy (cryo-EM), have provided extraordinary insights into the details of the functional configurations of biomolecular systems. Recent advances in x-ray crystallography and cryo-EM have allowed for structural characterization of large molecular machines such as the ribosome, proteasome, and spliceosome. This deluge of structural data has been complemented by experimental techniques capable of probing dynamic information, such as Forster resonance energy transfer (FRET) and stopped flow spectrometry. While these experimental studies have provided tremendous insights into the dynamics of biomolecular systems, it is often difficult to combine the low resolution dynamical data with the high-resolution structural data into a consistent picture. Computer simulation of these biomolecular systems bridges static structural data with dynamic experiments at atomic resolution (Fig. 1).
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