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Developing a triangular tessellation method for the analysis of medium ring pucker conformations
The main focus of this thesis is to investigate the relative conformational flexibilities of α-, β- and γ-cyclodextrins in water by analysing their macrocyclic ring puckering motion from Molecular Dynamics (MD) simulations. In particular, the puckering of the CDs is investigated through a coarse gra...
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| Format: | Thesis |
| Language: | English |
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Department of Chemistry
2014
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