The identification of hepatitis C virus(HCV)virus-human protein interactions will not only help us understand the molecular mechanisms of related diseases but also be conductive to discovering new drug targets.An incr...The identification of hepatitis C virus(HCV)virus-human protein interactions will not only help us understand the molecular mechanisms of related diseases but also be conductive to discovering new drug targets.An increasing number of clinically and experimentally validated interactions between HCV and human proteins have been documented in public databases,facilitating studies based on computational methods.In this study,we proposed a new computational approach,rotation forest position-specific scoring matrix(RF-PSSM),to predict the interactions among HCV and human proteins.In particular,PSSM was used to characterize each protein,two-dimensional principal component analysis(2DPCA)was then adopted for feature extraction of PSSM.Finally,rotation forest(RF)was used to implement classification.The results of various ablation experiments show that on independent datasets,the accuracy and area under curve(AUC)value of RF-PSSM can reach 93.74% and 94.29%,respectively,outperforming almost all cutting-edge research.In addition,we used RF-PSSM to predict 9 human proteins that may interact with HCV protein E1,which can provide theoretical guidance for future experimental studies.展开更多
Subcellular location is one of the key biological characteristics of proteins. Position-specific profiles （PSP） have been introduced as important characteristics of proteins in this article. In this study, to obtain...Subcellular location is one of the key biological characteristics of proteins. Position-specific profiles （PSP） have been introduced as important characteristics of proteins in this article. In this study, to obtain position-specific profiles, the Position Specific lterative-Basic Local Alignment Search Tool （PSI-BLAST） has been used to search for protein sequences in a database. Position-specific scoring matrices are extracted from the profiles as one class of characteristics. Four-part amino acid compositions and lst-7th order dipeptide compositions have also been calculated as the other two classes of characteristics. Therefore, twelve characteristic vectors are extracted from each of the protein sequences. Next, the characteristic vectors are weighed by a simple weighing function and inputted into a BP neural network predictor named PSP-Weighted Neural Network （PSP-WNN）. The Levenberg-Marquardt algorithm is employed to adjust the weight matrices and thresholds during the network training instead of the error back propagation algorithm. With a jackknife test on the RH2427 dataset, PSP-WNN has achieved a higher overall prediction accuracy of 88.4% rather than the prediction results by the general BP neural network, Markov model, and fuzzy k-nearest neighbors algorithm on this dataset. In addition, the prediction performance of PSP-WNN has been evaluated with a five-fold cross validation test on the PK7579 dataset and the prediction results have been consistently better than those of the previous method on the basis of several support vector machines, using compositions of both amino acids and amino acid pairs. These results indicate that PSP-WNN is a powerful tool for subcellular localization prediction. At the end of the article, influences on prediction accuracy using different weighting proportions among three characteristic vector categories have been discussed. An appropriate proportion is considered by increasing the prediction accuracy.展开更多
Using score function in a matrix game is very rare. In the proposed paper we have considered a matrix game with pay-off as triangular intuitionistic fuzzy number and a new ranking order has been proposed using value j...Using score function in a matrix game is very rare. In the proposed paper we have considered a matrix game with pay-off as triangular intuitionistic fuzzy number and a new ranking order has been proposed using value judgement index, available definitions and operations. A new concept of score function has been developed to defuzzify the pay-off matrix and solution of the matrix game has been obtained. A numerical example has been given in support of the proposed method.展开更多
The knowledge of subnuclear localization in eukaryotic cells is indispensable for under-standing the biological function of nucleus, genome regulation and drug discovery. In this study, a new feature representation wa...The knowledge of subnuclear localization in eukaryotic cells is indispensable for under-standing the biological function of nucleus, genome regulation and drug discovery. In this study, a new feature representation was pro-posed by combining position specific scoring matrix (PSSM) and auto covariance (AC). The AC variables describe the neighboring effect between two amino acids, so that they incorpo-rate the sequence-order information;PSSM de-scribes the information of biological evolution of proteins. Based on this new descriptor, a support vector machine (SVM) classifier was built to predict subnuclear localization. To evaluate the power of our predictor, the benchmark dataset that contains 714 proteins localized in nine subnuclear compartments was utilized. The total jackknife cross validation ac-curacy of our method is 76.5%, that is higher than those of the Nuc-PLoc (67.4%), the OET- KNN (55.6%), AAC based SVM (48.9%) and ProtLoc (36.6%). The prediction software used in this article and the details of the SVM parameters are freely available at http://chemlab.scu.edu.cn/ predict_SubNL/index.htm and the dataset used in our study is from Shen and Chou’s work by downloading at http://chou.med.harvard.edu/ bioinf/Nuc-PLoc/Data.htm.展开更多
Identification of the drug-binding residues on the surface of proteins is a vital step in drug discovery and it is important for understanding protein function. Most previous researches are based on the structural inf...Identification of the drug-binding residues on the surface of proteins is a vital step in drug discovery and it is important for understanding protein function. Most previous researches are based on the structural information of proteins, but the structures of most proteins are not available. So in this article, a sequence-based method was proposed by combining the support vector machine (SVM)-based ensemble learning and the improved position specific scoring matrix (PSSM). In order to take the local environment information of a drug-binding site into account, an improved PSSM profile scaled by the sliding window and smoothing window was used to improve the prediction result. In addition, a new SVM-based ensemble learning method was developed to deal with the imbalanced data classification problem that commonly exists in the binding site predictions. When performed on the dataset of 985 drug-binding residues, the method achieved a very promising prediction result with the area under the curve (AUC) of 0.9264. Furthermore, an independent dataset of 349 drug- binding residues was used to evaluate the pre- diction model and the prediction accuracy is 84.68%. These results suggest that our method is effective for predicting the drug-binding sites in proteins. The code and all datasets used in this article are freely available at http://cic.scu.edu.cn/bioinformatics/Ensem_DBS.zip.展开更多
The increasing amount of sequences stored in genomic databases has become unfeasible to the sequential analysis. Then, the parallel computing brought its power to the Bioinformatics through parallel algorithms to alig...The increasing amount of sequences stored in genomic databases has become unfeasible to the sequential analysis. Then, the parallel computing brought its power to the Bioinformatics through parallel algorithms to align and analyze the sequences, providing improvements mainly in the running time of these algorithms. In many situations, the parallel strategy contributes to reducing the computational complexity of the big problems. This work shows some results obtained by an implementation of a parallel score estimating technique for the score matrix calculation stage, which is the first stage of a progressive multiple sequence alignment. The performance and quality of the parallel score estimating are compared with the results of a dynamic programming approach also implemented in parallel. This comparison shows a significant reduction of running time. Moreover, the quality of the final alignment, using the new strategy, is analyzed and compared with the quality of the approach with dynamic programming.展开更多
文摘The identification of hepatitis C virus(HCV)virus-human protein interactions will not only help us understand the molecular mechanisms of related diseases but also be conductive to discovering new drug targets.An increasing number of clinically and experimentally validated interactions between HCV and human proteins have been documented in public databases,facilitating studies based on computational methods.In this study,we proposed a new computational approach,rotation forest position-specific scoring matrix(RF-PSSM),to predict the interactions among HCV and human proteins.In particular,PSSM was used to characterize each protein,two-dimensional principal component analysis(2DPCA)was then adopted for feature extraction of PSSM.Finally,rotation forest(RF)was used to implement classification.The results of various ablation experiments show that on independent datasets,the accuracy and area under curve(AUC)value of RF-PSSM can reach 93.74% and 94.29%,respectively,outperforming almost all cutting-edge research.In addition,we used RF-PSSM to predict 9 human proteins that may interact with HCV protein E1,which can provide theoretical guidance for future experimental studies.
基金the National Natural Science Foundation of China (No. 60471003).
文摘Subcellular location is one of the key biological characteristics of proteins. Position-specific profiles （PSP） have been introduced as important characteristics of proteins in this article. In this study, to obtain position-specific profiles, the Position Specific lterative-Basic Local Alignment Search Tool （PSI-BLAST） has been used to search for protein sequences in a database. Position-specific scoring matrices are extracted from the profiles as one class of characteristics. Four-part amino acid compositions and lst-7th order dipeptide compositions have also been calculated as the other two classes of characteristics. Therefore, twelve characteristic vectors are extracted from each of the protein sequences. Next, the characteristic vectors are weighed by a simple weighing function and inputted into a BP neural network predictor named PSP-Weighted Neural Network （PSP-WNN）. The Levenberg-Marquardt algorithm is employed to adjust the weight matrices and thresholds during the network training instead of the error back propagation algorithm. With a jackknife test on the RH2427 dataset, PSP-WNN has achieved a higher overall prediction accuracy of 88.4% rather than the prediction results by the general BP neural network, Markov model, and fuzzy k-nearest neighbors algorithm on this dataset. In addition, the prediction performance of PSP-WNN has been evaluated with a five-fold cross validation test on the PK7579 dataset and the prediction results have been consistently better than those of the previous method on the basis of several support vector machines, using compositions of both amino acids and amino acid pairs. These results indicate that PSP-WNN is a powerful tool for subcellular localization prediction. At the end of the article, influences on prediction accuracy using different weighting proportions among three characteristic vector categories have been discussed. An appropriate proportion is considered by increasing the prediction accuracy.
文摘Using score function in a matrix game is very rare. In the proposed paper we have considered a matrix game with pay-off as triangular intuitionistic fuzzy number and a new ranking order has been proposed using value judgement index, available definitions and operations. A new concept of score function has been developed to defuzzify the pay-off matrix and solution of the matrix game has been obtained. A numerical example has been given in support of the proposed method.
文摘The knowledge of subnuclear localization in eukaryotic cells is indispensable for under-standing the biological function of nucleus, genome regulation and drug discovery. In this study, a new feature representation was pro-posed by combining position specific scoring matrix (PSSM) and auto covariance (AC). The AC variables describe the neighboring effect between two amino acids, so that they incorpo-rate the sequence-order information;PSSM de-scribes the information of biological evolution of proteins. Based on this new descriptor, a support vector machine (SVM) classifier was built to predict subnuclear localization. To evaluate the power of our predictor, the benchmark dataset that contains 714 proteins localized in nine subnuclear compartments was utilized. The total jackknife cross validation ac-curacy of our method is 76.5%, that is higher than those of the Nuc-PLoc (67.4%), the OET- KNN (55.6%), AAC based SVM (48.9%) and ProtLoc (36.6%). The prediction software used in this article and the details of the SVM parameters are freely available at http://chemlab.scu.edu.cn/ predict_SubNL/index.htm and the dataset used in our study is from Shen and Chou’s work by downloading at http://chou.med.harvard.edu/ bioinf/Nuc-PLoc/Data.htm.
文摘Identification of the drug-binding residues on the surface of proteins is a vital step in drug discovery and it is important for understanding protein function. Most previous researches are based on the structural information of proteins, but the structures of most proteins are not available. So in this article, a sequence-based method was proposed by combining the support vector machine (SVM)-based ensemble learning and the improved position specific scoring matrix (PSSM). In order to take the local environment information of a drug-binding site into account, an improved PSSM profile scaled by the sliding window and smoothing window was used to improve the prediction result. In addition, a new SVM-based ensemble learning method was developed to deal with the imbalanced data classification problem that commonly exists in the binding site predictions. When performed on the dataset of 985 drug-binding residues, the method achieved a very promising prediction result with the area under the curve (AUC) of 0.9264. Furthermore, an independent dataset of 349 drug- binding residues was used to evaluate the pre- diction model and the prediction accuracy is 84.68%. These results suggest that our method is effective for predicting the drug-binding sites in proteins. The code and all datasets used in this article are freely available at http://cic.scu.edu.cn/bioinformatics/Ensem_DBS.zip.
文摘The increasing amount of sequences stored in genomic databases has become unfeasible to the sequential analysis. Then, the parallel computing brought its power to the Bioinformatics through parallel algorithms to align and analyze the sequences, providing improvements mainly in the running time of these algorithms. In many situations, the parallel strategy contributes to reducing the computational complexity of the big problems. This work shows some results obtained by an implementation of a parallel score estimating technique for the score matrix calculation stage, which is the first stage of a progressive multiple sequence alignment. The performance and quality of the parallel score estimating are compared with the results of a dynamic programming approach also implemented in parallel. This comparison shows a significant reduction of running time. Moreover, the quality of the final alignment, using the new strategy, is analyzed and compared with the quality of the approach with dynamic programming.
