| 分子动力学模拟与分子生物力学 |
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| 引用本文： | 吕守芹,龙勉.分子动力学模拟与分子生物力学[J].生物物理学报,2012(1):6-14. |
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| 作者姓名： | 吕守芹 龙勉 |
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| 作者单位： | 中国科学院力学研究所微重力重点实验室;中国科学院力学研究所生物力学与生物工程中心 |
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| 基金项目： | 国家自然科学基金项目(30730032,11072251)~~ |
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| 摘 要： | 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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| 关 键 词： | 分子动力学模拟 分子生物力学 微观结构动力学 结构-功能关系 |
Molecular Dynamics Simulation and Molecular Biomechanics |
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| LU Shouqin,LONG Mian.Molecular Dynamics Simulation and Molecular Biomechanics[J].Acta Biophysica Sinica,2012(1):6-14. |
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| Authors: | LU Shouqin LONG Mian |
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| Institution: | 1,2 1.Key Laboratory of Microgravity,Institute of Mechanics,Chinese Academy of Sciences,Beijing 100190,China; 2.Center of Biomechanics and Bioengineering,Institute of Mechanics,Chinese Academy of Sciences,Beijing 100190,China This work was supported by grants from the National Natural Science Foundation of China(30730032,11072251) |
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| Abstract: | 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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| Keywords: | Molecular dynamics simulation Molecular biomechanics Micro-structural dynamics Structure-function relationship |
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