Molecular Dynamics: The Computational Molecular Microscope
Molecular Dynamics: The Computational Molecular Microscope
复制标题
分子动力学：计算分子显微镜
DOI：
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发表时间：
2014
期刊：
影响因子：
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通讯作者：
E. Tajkhorshid
中科院分区：
文献类型：
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作者：
M. Kalani;E. Tajkhorshid
分子生物学和现代实验生物物理学中的先进技术不仅严重依赖于必需蛋白质结构的知识，而且依赖于它们的结构动力学。这些双分子系统的功能和生物现象发生的沿着可以根据分子结构和行为的知识来确定。因此，刚性生物结构的简单观点不能充分描述分子内运动及其在对功能至关重要的构象变化中的重要作用。分子动力学模拟提供了一种计算显微镜，使我们能够以高的空间和时间分辨率可视化分子系统的运动，从而为在原子分辨率下更深入地了解生物系统的动力学提供了新的机会，而目前还没有实验显微镜适用。
Advanced technologies in molecular biology and modern experimental biophysics heavily rely not only on the knowledge of structure of essential proteins but also on their structural dynamics. The function of these bimolecular systems and the pathways along which the biological phenomena take place can be determined based on the knowledge of the molecular structure and behavior. As such, the simple view of rigid biological structures could not adequately describe the intra-molecular motions and their essential role in conformational changes that are critical to the function. Molecular dynamics simulation offers a computational microscope allowing us to visualize the motion of molecular systems at high spatial and temporal resolutions, thereby providing new opportunities for developing a deeper understanding of the dynamics of biological systems at atomic resolution where no experimental microscope is currently applicable.
影响因子：
3.4
作者：
Kalani, Mohamad R.;Moradi, Abdulvahab;Tajkhorshid, Emad
通讯作者：
Tajkhorshid, Emad