2,646 research outputs found

    A topological approach for protein classification

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    Protein function and dynamics are closely related to its sequence and structure. However prediction of protein function and dynamics from its sequence and structure is still a fundamental challenge in molecular biology. Protein classification, which is typically done through measuring the similarity be- tween proteins based on protein sequence or physical information, serves as a crucial step toward the understanding of protein function and dynamics. Persistent homology is a new branch of algebraic topology that has found its success in the topological data analysis in a variety of disciplines, including molecular biology. The present work explores the potential of using persistent homology as an indepen- dent tool for protein classification. To this end, we propose a molecular topological fingerprint based support vector machine (MTF-SVM) classifier. Specifically, we construct machine learning feature vectors solely from protein topological fingerprints, which are topological invariants generated during the filtration process. To validate the present MTF-SVM approach, we consider four types of problems. First, we study protein-drug binding by using the M2 channel protein of influenza A virus. We achieve 96% accuracy in discriminating drug bound and unbound M2 channels. Additionally, we examine the use of MTF-SVM for the classification of hemoglobin molecules in their relaxed and taut forms and obtain about 80% accuracy. The identification of all alpha, all beta, and alpha-beta protein domains is carried out in our next study using 900 proteins. We have found a 85% success in this identifica- tion. Finally, we apply the present technique to 55 classification tasks of protein superfamilies over 1357 samples. An average accuracy of 82% is attained. The present study establishes computational topology as an independent and effective alternative for protein classification

    An Improved Local Community Detection Algorithm Using Selection Probability

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    In order to find the structure of local community more effectively, we propose an improved local community detection algorithm ILCDSP, which improves the node selection strategy, and sets selection probability value for every candidate node. ILCDSP assigns nodes with different selection probability values, which are equal to the degree of the nodes to be chosen. By this kind of strategy, the proposed algorithm can detect the local communities effectively, since it can ensure the best search direction and avoid the local optimal solution. Various experimental results on both synthetic and real networks demonstrate that the quality of the local communities detected by our algorithm is significantly superior to the state-of-the-art methods
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