Cluster Analysis using Quantile Plots with Applications in Computational Chemistry Public
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The project is about proving that a program can determine the clustering of points in space, with or without the need of a user defined cutoff. The program uses a statistical method called quantile-quantile plots to find clusters of points based on their locations in space. As part of the project, it will be proven that the program can correctly cluster multi-dimensional points regardless of the distances between them. The program will also be used to try determine likely binding sites in carbohydrate-protein docking simulations, and then compare the programs results with results generated by AutoDock versions 3 and 4. The program will also try to and identify molecular epitopes, which can be represented by more than three dimensions.
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Permanent link to this page: https://digital.wpi.edu/show/vq27zq12f