Visualizing Structure and Dynamics of Disaccharide Simulations
James F. Matthews, Gregg T. Beckham, Michael E. Himmel, Michael F. Crowley · OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) · 2012
We examine the effect of several solvent models on the conformational properties and dynamics of disaccharides such as cellobiose and lactose. Significant variation in timescale for large scale conformational transformations are observed. Molecular dynamics simulation provides enough detail to enable insight through visualization of multidimensional data sets. We present a new way to visualize conformational space for disaccharides with Ramachandran plots.