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  • Title: A cluster-aware graphical user interface for a virtual ligand screening tool.
    Author: Ramjan ZH, Raheja A, Floriano WB.
    Journal: Annu Int Conf IEEE Eng Med Biol Soc; 2008; 2008():4102-5. PubMed ID: 19163614.
    Abstract:
    In this paper, we describe the design and implementation of a Graphical User Interface (GUI) for Cassandra, a computer application for Virtual Ligand Screening (VLS). The GUI was designed using Trolltech QT4 and Perl, and serves the purpose of making the execution of Cassandra more user-friendly. Through this GUI, users can manage multiple concurrent, interactive data paths both on a single machine and on a High Performance Computing Cluster (HPCC). The GUI successfully decreased the complexity and steep learning curve of using Cassandra, and the average time to execute a VLS project. As result, we reduced the time necessary to train new users, increased the number of users, increased the overall efficiency of Cassandra, and optimized data handling and analysis.
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