e-Science Platform Construction Accelerates the Development of Rational Drug Design
文献类型：期刊论文
| 作者 | Hu Junchi1; Xu Pan1; Chen Yantao1; Liu Tingting2; Lu Dong1; Xu Yuan1; Yang Huaiyu1; Luo Xiaomin1 ; Zhu Weiliang1; Zheng Mingyue1
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| 刊名 | Bulletin of the Chinese Academy of Sciences
 |
| 出版日期 | 2016 |
| 卷号 | 31期号:6页码:624-638 |
| 关键词 | e-Science rational drug design computer-aided drug design |
| ISSN号 | 1000-3045 |
| 其他题名 | 科研信息化助力合理药物设计新发展 |
| 文献子类 | Article |
| 英文摘要 | As the big data era approaching, supercomputer-guided rational drug discovery and design provides a new opportunity for modern drug discovery. The infrastructure upgrades of e-science platform, including the high-performance computers' microprocessors development, and the appearance of new resource pattern, connect supercomputer with computational biology and computational chemistry, add new features to the traditional drug discovery and computer-aided drug design, as well as speed up the research process of the molecular dynamics simulation and the virtual screening. To illustrate the advantage of e-science platform in efficiency enhancement, cost reduction, process acceleration, risk management, as well as value improvement of research and innovative ability, this review covers a comprehensive range of the current development of rational drug design from three respects: the methodology research of drug design, the pharmacokinetics model design, and the drug design application. |
| WOS研究方向 | Pharmacology & Pharmacy (provided by Clarivate Analytics) |
| 语种 | 中文 |
| CSCD记录号 | CSCD:5735871 |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/269248]  |
| 专题 | 药物发现与设计中心 |
| 通讯作者 | Jiang Hualiang |
| 作者单位 | 1.Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.; 2.School of Life Science and Technology, ShanghaiTech University, Shanghai 201210, China. |
| 推荐引用方式 GB/T 7714 | Hu Junchi,Xu Pan,Chen Yantao,et al. e-Science Platform Construction Accelerates the Development of Rational Drug Design[J]. Bulletin of the Chinese Academy of Sciences,2016,31(6):624-638. |
| APA | Hu Junchi.,Xu Pan.,Chen Yantao.,Liu Tingting.,Lu Dong.,...&Jiang Hualiang.(2016).e-Science Platform Construction Accelerates the Development of Rational Drug Design.Bulletin of the Chinese Academy of Sciences,31(6),624-638. |
| MLA | Hu Junchi,et al."e-Science Platform Construction Accelerates the Development of Rational Drug Design".Bulletin of the Chinese Academy of Sciences 31.6(2016):624-638. |
入库方式： OAI收割
来源：上海药物研究所
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