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

• Main Authors: Wasinee Khuntawee, Thanyada Rungrotmongkol, Peter Wolschann, Piamsook Pongsawasdi, Nawee Kungwan, Hisashi Okumura, Supot Hannongbua
• Format: Journal
• Published: 2018
• Subjects: Chemistry; Materials Science
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84954047145&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/55458
• Institution: 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...