Faculty Publications

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    An enhanced protein secondary structure prediction using deep learning framework on hybrid profile based features
    (Elsevier Ltd, 2020) Kumar, P.; Bankapur, S.; Patil, N.
    Accurate protein secondary structure prediction (PSSP) is essential to identify structural classes, protein folds, and its tertiary structure. To identify the secondary structure, experimental methods exhibit higher precision with the trade-off of high cost and time. In this study, we propose an effective prediction model which consists of hybrid features of 42-dimensions with the combination of convolutional neural network (CNN) and bidirectional recurrent neural network (BRNN). The proposed model is accessed on four benchmark datasets such as CB6133, CB513, CASP10, and CAP11 using Q3, Q8, and segment overlap (Sov) metrics. The proposed model reported Q3 accuracy of 85.4%, 85.4%, 83.7%, 81.5%, and Q8 accuracy 75.8%, 73.5%, 72.2%, and 70% on CB6133, CB513, CASP10, and CAP11 datasets respectively. The results of the proposed model are improved by a minimum factor of 2.5% and 2.1% in Q3 and Q8 accuracy respectively, as compared to the popular existing models on CB513 dataset. Further, the quality of the Q3 results is validated by structural class prediction and compared with PSI-PRED. The experiment showed that the quality of the Q3 results of the proposed model is higher than that of PSI-PRED. © 2019 Elsevier B.V.
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    An Enhanced Protein Fold Recognition for Low Similarity Datasets Using Convolutional and Skip-Gram Features with Deep Neural Network
    (Institute of Electrical and Electronics Engineers Inc., 2021) Bankapur, S.; Patil, N.
    The protein fold recognition is one of the important tasks of structural biology, which helps in addressing further challenges like predicting the protein tertiary structures and its functions. Many machine learning works are published to identify the protein folds effectively. However, very few works have reported the fold recognition accuracy above 80% on benchmark datasets. In this study, an effective set of global and local features are extracted from the proposed Convolutional (Conv) and SkipXGram bi-gram (SXGbg) techniques, and the fold recognition is performed using the proposed deep neural network. The performance of the proposed model reported 91.4% fold accuracy on one of the derived low similarity (< 25%) datasets of latest extended version of SCOPe_2.07. The proposed model is further evaluated on three popular and publicly available benchmark datasets such as DD, EDD, and TG and obtained 85.9%, 95.8%, and 88.8% fold accuracies, respectively. This work is first to report fold recognition accuracy above 85% on all the benchmark datasets. The performance of the proposed model has outperformed the best state-of-the-art models by 5% to 23% on DD, 2% to 19% on EDD, and 3% to 30% on TG dataset. © 2002-2011 IEEE.
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    An effective feature extraction with deep neural network architecture for protein-secondary-structure prediction
    (Springer, 2021) Jayasimha, A.; Mudambi, R.; Pavan, P.; Lokaksha, B.M.; Bankapur, S.; Patil, N.
    With the increased importance of proteins in day-to-day life, it is imperative to know the protein functions. Deciphering protein structure elucidates protein functions. Experimental approaches for protein-structure analysis are expensive and time-consuming, and require high dexterity. Thus, finding a viable computational approach is vital. Due to the high complexity of predicting protein structure (tertiary structure) directly, research in this field aims at the protein-secondary-structure prediction which is directly related to its tertiary structure. This research aims at exploring a plethora of features, namely position-specific scoring matrices, hidden Markov model alignment matrices, and physicochemical properties, that carry rich information required to predict the secondary structure. Furthermore, it aims at exploring a suitable combination of the features which could capture diverse information about the protein secondary structure. Finally, a cascaded convolutional neural network and bidirectional long short-term memory architecture is fit on the models, and two evaluation metrics, namely, Q8 score and segment overlap score, are benchmarked on various datasets. Our proposed model trained on data of CB6133 dataset and tested on CB513 dataset beats the benchmark models by a minimum of 2.9%. © 2021, The Author(s), under exclusive licence to Springer-Verlag GmbH Austria, part of Springer Nature.
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    An Effective Multi-Label Protein Sub-Chloroplast Localization Prediction by Skipped-Grams of Evolutionary Profiles Using Deep Neural Network
    (Institute of Electrical and Electronics Engineers Inc., 2022) Bankapur, S.; Patil, N.
    Chloroplast is one of the most classic organelles in algae and plant cells. Identifying the locations of chloroplast proteins in the chloroplast organelle is an important as well as a challenging task in deciphering their functions. Biological-based experiments to identify the Protein Sub-Chloroplast Localization (PSCL) is time-consuming and cost-intensive. Over the last decade, a few computational methods have been developed to predict PSCL in which earlier works assumed to predict only single-location; whereas, recent works are able to predict multiple-locations of chloroplast organelle. However, the performances of all the state-of-the-art predictors are poor. This article proposes a novel skip-gram technique to extract highly discriminating patterns from evolutionary profiles and a multi-label deep neural network to predict the PSCL. The proposed model is assessed on two publicly available datasets, i.e., Benchmark and Novel. Experimental results demonstrate that the proposed work outperforms significantly when compared to the state-of-the-art multi-label PSCL predictors. A multi-label prediction accuracy (i.e., Overall Actual Accuracy) of the proposed model is enhanced by an absolute minimum margin of 6.7 percent on Benchmark dataset and 7.9 percent on Novel dataset when compared to the best PSCL predictor from the literature. Further, result of statistical t-test concludes that the performance of the proposed work is significantly improved and thus, the proposed work is an effective computational model to solve multi-label PSCL prediction. The proposed prediction model is hosted on web-server and available at https://nitkit-vgst727-nppsa.nitk.ac.in/deeplocpred/. © 2004-2012 IEEE.