Worcester Polytechnic Institute Electronic Projects Collection

Title page for E-project-101708-055032


Project TypeMQP
Submission date2008-10-17
Author
  • Michael N Tessier, CS
  • URNE-project-101708-055032
    SponsorWoods Research Group at the University of Georgia
    TitleCluster Analysis using Quantile Plots with Applications in Computational Chemistry
    Advisor
  • Heineman, George T, CS
  • Availability unrestricted

    Abstract

    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.

    Files
  • 081027-Quantile_Clustering_Report.pdf
  • Qliinc_with_GLYLIB.zip

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