| 在微机上实现分子力学模拟B-DNA |
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| 引用本文： | 韩大雄,杨频.在微机上实现分子力学模拟B-DNA[J].化学通报,2002,65(3):208-212,207. |
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| 作者姓名： | 韩大雄 杨频 |
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| 作者单位： | 山西大学分子科学研究所 太原030006
(韩大雄)，山西大学分子科学研究所 太原030006(杨频) |
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| 摘 要： | DNA是典型的螺旋结构，关于它的模拟方法有很多种，本文将探讨一种能在微机上用分子力学模拟B型DNA的方法，该方法以Cs Chem3D软件包中MM2为支持力场，搭建和几何优化B－DNA，并对模拟B－DNA的构象特征进行详细分析以证实此方法的可行性。
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| 关 键 词： | 分子力学模拟 MM2力场 B－DNA 生物大分子 构型 结构模拟 Cs Chem3D软件包 |
The Simulation of B-DNA through Molecular Mechanics in a PC |
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| Han Daxiong,Yang Pin.The Simulation of B-DNA through Molecular Mechanics in a PC[J].Chemistry,2002,65(3):208-212,207. |
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| Authors: | Han Daxiong Yang Pin |
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| Abstract: | DNA has a typical helix structure. There are lots of methods to model it. In this paper, we have explored a kind of method that can be used in modeling B DNA by molecular mechanics in a PC. In this method building and energy minimization of B DNA was carried out on the basis of MM2 force field from CS Chem 3D Package, and then its conformation characteristic was detailedly analyzed in order to confirm feasibility of the method. |
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| Keywords: | Modeling of molecular mechanics MM2 force field B DNA Building |
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