| 共轭帽分子分割法研究蛋白质的电荷密度 |
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| 引用本文： | 张少龙,时术华,伊长虹,刘新国,张怿慈.共轭帽分子分割法研究蛋白质的电荷密度[J].山东师范大学学报(自然科学版),2006,21(1):57-58,61. |
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| 作者姓名： | 张少龙 时术华 伊长虹 刘新国 张怿慈 |
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| 作者单位： | 山东师范大学物理与电子科学学院,250014,济南 |
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| 摘 要： | 共轭帽分子分割（MFCC）法将蛋白质处理为一系列加了适当的共轭帽的单个的氨基酸片断，各片段的物理量可以用量化软件算出，整个蛋白质的物理量由各片段的物理量组合而得到．本文将加MFCC法应用于生物大分子的研究，得到了现在抗肿瘤研究中具有重要意义的p53蛋白的电荷密度和静电势．
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| 关 键 词： | MFCC方法 蛋白质 电荷密度 |
| 收稿时间： | 2005-11-08 |
| 修稿时间： | 2005-11-08 |
AB INITIO CALCULATION OF ELECTRON DENSITY FOR P53 TUMOR SUPPRESSOR PROTEIN |
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| Zhang Shaolong,Shi Shuhua,Yi Changhong,Liu Xinguo,Zhang Yici.AB INITIO CALCULATION OF ELECTRON DENSITY FOR P53 TUMOR SUPPRESSOR PROTEIN[J].Journal of Shandong Normal University(Natural Science),2006,21(1):57-58,61. |
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| Authors: | Zhang Shaolong Shi Shuhua Yi Changhong Liu Xinguo Zhang Yici |
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| Institution: | College of Physics and Electronics, Shandong Normal University,250014,Jinan, China |
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| Abstract: | The molecular fractionation with conjugate caps (MFCC) approach is an efficient linear scaling method for direct calculation of electron density of proteins.The total electron density of a protein molecule is obtained by summing over all individual electron densities of protein fragments subtracted by electron densities of concap molecules. The electron densities and electrostatic potential of p53 tumor-suppressor protein were obtained at B3LY/6-31G* ab initio levels. |
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| Keywords: | electron density protein MFCC approach |
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