Molecular simulation methods for selecting thrombin-binding aptamers

Jangam Vikram Kumar, Wen Yih Chen, Jeffrey J.P. Tsai, Wen Pin Hu

研究成果: 書貢獻/報告類型會議論文篇章同行評審

6 引文 斯高帕斯(Scopus)

摘要

To study and compare the simulation methods on the different scoring functions to analyze the consistency of the Docking score between the aptamers and protein. Thrombin is well characterized and has been studied with the thrombin binding aptamer (TBA) and mutated TBA sequences in a previous report, which finds three representative aptamers have best, medium, and worst binding interactions with thrombin. Discovery Studio 3.5 is a useful modeling and simulation software. The ZDOCK in this package incorporates a simple and novel scoring function: Pairwise Shape Complementarity. By using ZDOCK, we also can evaluate the differences in the binding ability between the interactions of the thrombin and aptamers. Basically, our results are consistent with the previous report. From this study, we make sure that the ZDOCK can provide reliable results and able be used as an alternative method in performing in silico selection of aptamer.

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主出版物標題Information Technology Convergence
主出版物子標題Security, Robotics, Automations and Communication
發行者Springer Verlag
頁面743-749
頁數7
ISBN(列印)9789400769953
DOIs
出版狀態已出版 - 2013
事件5th FTRA International Conference on Information Technology Convergence and Services, ITCS 2013 and the 3rd International Conference on Intelligent Robotics, Automations, Telecommunication Facilities, and Applications, IRoA 2013 - Fukuoka, Japan
持續時間: 8 7月 201310 7月 2013

出版系列

名字Lecture Notes in Electrical Engineering
253 LNEE
ISSN(列印)1876-1100
ISSN(電子)1876-1119

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???event.eventtypes.event.conference???5th FTRA International Conference on Information Technology Convergence and Services, ITCS 2013 and the 3rd International Conference on Intelligent Robotics, Automations, Telecommunication Facilities, and Applications, IRoA 2013
國家/地區Japan
城市Fukuoka
期間8/07/1310/07/13

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