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Biomedical subjects

Xue-Biao Xu

Publications and source records attributed to Xue-Biao Xu.

4 recordsLinked to original sources

Support vector machines for prediction of protein domain structural class.

The support vector machines (SVMs) method was introduced for predicting the structural class of protein domains. The results obtained through the self-consistency test, jack-knife test, and independent dataset test have indicated that the current method and the elegant component-coupled algorithm developed by Chou and co-workers, if effectively complemented with each other, may become a powerful tool for predicting the structural class of protein domains.

Algorithms↗

Support Vector Machines for predicting HIV protease cleavage sites in protein.

Knowledge of the polyprotein cleavage sites by HIV protease will refine our understanding of its specificity, and the information thus acquired is useful for designing specific and efficient HIV protease inhibitors. The pace in searching for the proper inhibitors of HIV protease will be greatly expedited if one can find an accurate, robust, and rapid method for predicting the cleavage sites in proteins by HIV protease. In this article, a Support Vector Machine is applied to predict the cleavability of oligopeptides by proteases with multiple and extended specificity subsites. We selected HIV-1 protease as the subject of the study. Two hundred ninety-nine oligopeptides were chosen for the training set, while the other 63 oligopeptides were taken as a test set. Because of its high rate of self-consistency (299/299 = 100%), a good result in the jackknife test (286/299 = 95%) and correct prediction rate (55/63 = 87%), it is expected that the Support Vector Machine method can be referred to as a useful assistant technique for finding effective inhibitors of HIV protease, which is one of the targets in designing potential drugs against AIDS. The principle of the Support Vector Machine method can also be applied to analyzing the specificity of other multisubsite enzymes.

Amino Acid Sequence↗

Support vector machines for the classification and prediction of beta-turn types.

The support vector machines (SVMs) method is proposed because it can reflect the sequence-coupling effect for a tetrapeptide in not only a beta-turn or non-beta-turn, but also in different types of beta-turn. The results of the model for 6022 tetrapeptides indicate that the rates of self-consistency for beta-turn types I, I', II, II', VI and VIII and non-beta-turns are 99.92%, 96.8%, 98.02%, 97.75%, 100%, 97.19% and 100%, respectively. Using these training data, the rate of correct prediction by the SVMs for a given protein: rubredoxin (54 residues. 51 tetrapeptides) which includes 12 beta-turn type I tetrapeptides, 1 beta-turn type II tetrapeptide and 38 non-beta-turns reached 82.4%. The high quality of prediction of the SVMs implies that the formation of different beta-turn types or non-beta-turns is considerably correlated with the sequence of a tetrapeptide. The SVMs can save CPU time and avoid the overfitting problem compared with the neural network method.

Algorithms↗

Artificial neural network method for predicting protein secondary structure content.

In this paper, the neural network method was applied to predict the content of protein secondary structure elements that was based on 'pair-coupled amino acid composition', in which the sequence coupling effects are explicitly included through a series of conditional probability elements. The prediction was examined by a self-consistency test and an independent-dataset. Both indicated good results obtained when using the neural network method to predict the contents of alpha-helix, beta-sheet, parallel beta-sheet strand, antiparallel beta-sheet strand, beta-bridge, 3(10)-helix, pi-helix, H-bonded turn, bend, and random coil.

Neural Networks, Computer↗