分子动力学模拟与分子生物力学
Molecular Dynamics Simulation and Molecular Biomechanics
查看参考文献66篇
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文摘
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生物大分子的微观结构动力学决定其生物学功能,其力学-化学耦合规律是分子生物力学的重点关注方向。分子动力学模拟是耦合生物大分子力学-化学性质微观结构动力学基础的有效手段,其结果可用于预测结构-功能关系、指导实验设计和诠释实验结果。本文简要介绍了分子动力学模拟的方法学特点、基本工作原理及其在分子生物力学中的应用,并展望了未来可能的发展方向和应用前景。 |
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其他语种文摘
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Micro-structural dynamics of biomolecules governs their biological functions.Mechano-chemical coupling is a key issue in molecular biomechanics.Molecular dynamics simulation(MDS) is an effective approach to coordinate the biomolecular micro-structural dynamics with their mechanical and chemical features.The outcomes provide the bases in predicting the structure-function relationship,optimizing the experimental design,and interpreting the measured data.This mini-review briefly introduces the MDS approach,the working principle,and the biological significance in molecular biomechanics,and proposes the prospects of future development and potential applications. |
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来源
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生物物理学报
,2012,28(1):6-14 【核心库】
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关键词
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分子动力学模拟
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分子生物力学
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微观结构动力学
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结构-功能关系
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地址
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中国科学院力学研究所生物力学与生物工程中心, 中国科学院微重力重点实验室, 北京, 100190
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语种
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中文 |
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文献类型
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综述型 |
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ISSN
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1000-6737 |
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学科
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生物物理学 |
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基金
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国家自然科学基金项目
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文献收藏号
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CSCD:4435792
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