Conformation study of ε-cyclodextrin: Replica exchange molecular dynamics simulations

• Main Authors: Khuntawee W., Rungrotmongkol T., Wolschann P., Pongsawasdi P., Kungwan N., Okumura H., Hannongbua S.
• 格式: 雜誌
• 出版: 2017
• 在線閱讀: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84954047145&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/41888
• 機構: Chiang Mai University

© 2015 Elsevier Ltd. All rights reserved. There is growing interest in large-ring cyclodextrins (LR-CDs) which are known to be good host molecules for larger ligands. The isolation of a defined size LR-CD is an essential prerequisite for studying their structural properties. Unfortunately the purifi...