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Methods for finding molecular sites in molecular docking simulation is proposed in the paper. The method distinguishes the surface/inside atoms of the receptor by selecting a suitable distance maximizing the standard deviation of corresponding neighboring degrees of the molecules. With various considerations and different set ups of the underlying(More)
Currently, cloud computing has been applied to share computing resources to achieve coherence and economies of scale similar to a utility over a network. Hadoop is an widely-used open-source cloud computing environment that implements the Google MapReduce framework. Many bioinformatics tools have been developed to provide cloud services by using Hadoop.(More)
In this paper, we propose algorithms for biomolecular docking sites selection problem by various machine learning approaches with selective features reduction. The proposed method can reduce the number of various amino acid features before constructing machine learning prediction models. Given frame boxes with features, the proposed method analyzes the(More)
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