| 药物开发软件Catalyst及其在计算机辅助药物设计中的应用 |
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| 引用本文： | 化玮,杜丽娜.药物开发软件Catalyst及其在计算机辅助药物设计中的应用[J].北京联合大学学报(自然科学版),2011(1):28-33. |
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| 作者姓名： | 化玮 杜丽娜 |
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| 作者单位： | 北京联合大学应用科技学院;北京放射医学研究所; |
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| 摘 要： | 计算机辅助药物设计(CADD)是一门多学科交叉的边缘学科,在新药研发,特别是在先导化合物的发现和优化过程中发挥着越来越重要的作用。Catalyst是一种基于药效团模型的综合性药物开发软件。本文着重介绍了Catalyst软件的基本功能及其在新药筛选中的应用。
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| 关 键 词： | Catalyst软件 药效团 计算机辅助药物设计 |
Pharmacophore Modeling Software-Catalyst and its Recent Applications in Computer Aided Drug Design |
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| HUA Wei,DU Li-na.Pharmacophore Modeling Software-Catalyst and its Recent Applications in Computer Aided Drug Design[J].Journal of Beijing Union University,2011(1):28-33. |
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| Authors: | HUA Wei DU Li-na |
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| Institution: | HUA Wei1,DU Li-na2(1.College of Applied Science and Technology of Beijing Union University,Beijing 100101,China,2.Beijing Institute of Radiation Medicine,Beijing 100085,China) |
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| Abstract: | Computer-aided drug design(CADD) is a frontier science involving more than one subject and playing a more and more important role during new drug research and development,especially in the discovery and opti-mization of leading compounds.The Catalyst software is a comprehensive solution for pharmacophore modeling and 3D database management.Its basic functions and applications in drug research are mainly described. |
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| Keywords: | catalyst pharmacophore modeling computer aided drug design |
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