| 生物大分子体系量子化学计算方法新进展 |
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| 引用本文： | 朱维良,蒋华良,陈凯先,嵇汝运,曹阳. 生物大分子体系量子化学计算方法新进展[J]. 化学进展, 1999, 11(4): 367-375 |
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| 作者姓名： | 朱维良 蒋华良 陈凯先 嵇汝运 曹阳 |
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| 作者单位： | 1. 中国科学院上海药物研究所,上海,200031
2. 苏州大学化学系,苏州,215006 |
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| 基金项目： | 国家杰出青年基金,“863”高科技项目基金 |
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| 摘 要： | 本文就近年来报道的4 种研究生物大分子体系的量子化学计算方法(计算显微镜方法、定域分子轨道方法、线性标度半经验量子化学方法和并行算法) 作了较为详细的介绍, 并展望了该领域的研究前景。
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| 关 键 词： | 量子化学 生物大分子 计算方法 |
| 收稿时间： | 1998-08-01 |
| 修稿时间： | 1999-01-01 |
New Advances in Quantum Chemistry Calculation Methods of Biomacromolecular System |
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| Zhu Weiliang,Jiang Hualiang,Chen Kaixian,Ji Ruyun,Cao Yang. New Advances in Quantum Chemistry Calculation Methods of Biomacromolecular System[J]. Progress in Chemistry, 1999, 11(4): 367-375 |
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| Authors: | Zhu Weiliang Jiang Hualiang Chen Kaixian Ji Ruyun Cao Yang |
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| Affiliation: | State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica,Chinese Academy of Sicences, Shanghai 200031, China Department of Chemistry, Suzhou University, Suzhou 215006, China" |
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| Abstract: | Four new quantum chemistry calculation methods (computational microscope, localized molecular orbitals, linear scaling semiempirical quantum chemistry and parallel calculation method) which can be applied to study biomacromolecular systems were reviewed in this paper. The perspective of these methods was also discussed.; |
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| Keywords: | quantum chemistry biomacromolecular system calculation methods |
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