A molecular docking method using knowledge scoring function
文献类型：期刊论文
| 作者 | Wang, Xi-Cheng2; Zhao, Xiao-Yu1; Kang, Ling4; Li, Hong-Lin3 |
| 刊名 | Dalian Ligong Daxue Xuebao/Journal of Dalian University of Technology
 |
| 出版日期 | 2010-03 |
| 卷号 | 50期号:2页码:157-161 |
| ISSN号 | 10008608 |
| 文献子类 | Article |
| 英文摘要 | Molecular docking plays an important role in computer-aided drug molecular optimal design. A knowledge scoring function for estimating the binding free energy by means of distances between atom pairs is introduced, whose formula is similar to that of potential of mean force (PMF). Based on the knowledge scoring function, and combining an improved multi-population adaptive genetic algorithm based on information entropy, a new docking program KGAsDock is developed. The comparing with famous docking program DOCK6.1 is given, and the numerical results show that the method can improve the docking accuracy considerably without reducing computing efficiency. |
| 语种 | 中文 |
| CSCD记录号 | CSCD:3857817 |
| 出版者 | Dalian University of Technology |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/266997]  |
| 专题 | 药物发现与设计中心 |
| 通讯作者 | Wang, Xi-Cheng |
| 作者单位 | 1.Department of Engineering Mechanics, Dalian University of Technology, Dalian 116024, China; 2.State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian 116024, China; 3.Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China 4.School of Computer Science and Technology, Dalian University of Technology, Dalian 116024, China; |
| 推荐引用方式 GB/T 7714 | Wang, Xi-Cheng,Zhao, Xiao-Yu,Kang, Ling,et al. A molecular docking method using knowledge scoring function[J]. Dalian Ligong Daxue Xuebao/Journal of Dalian University of Technology,2010,50(2):157-161. |
| APA | Wang, Xi-Cheng,Zhao, Xiao-Yu,Kang, Ling,&Li, Hong-Lin.(2010).A molecular docking method using knowledge scoring function.Dalian Ligong Daxue Xuebao/Journal of Dalian University of Technology,50(2),157-161. |
| MLA | Wang, Xi-Cheng,et al."A molecular docking method using knowledge scoring function".Dalian Ligong Daxue Xuebao/Journal of Dalian University of Technology 50.2(2010):157-161. |
入库方式： OAI收割
来源：上海药物研究所
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