Abstract
Carbohydrates play critical roles in biological processes, and their interactions depend on their 3D shapes, or conformations. Understanding these conformations, through computer modelling and visualization, is therefore key to modern drug and vaccine design.
Our project aims to improve both the modelling and visualization of carbohydrate conformation. For the former, we compare the latest refinement of the Drude polarizable force field to its previous version and the well-established CHARMM force field for modelling oligosaccharides. For the latter, we design and evaluate new visualizations to enable more effective analysis of carbohydrate conformation.
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Accurate Modelling and Effective Visualization of Carbohydrate Conformation
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Accurate Modelling and Effective Visualization of Carbohydrate Conformation
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