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Method and device for predicting topological structure of α-helical transmembrane proteins

A technology of topology structure and prediction method, which is applied to the analysis of two-dimensional or three-dimensional molecular structure, bioinformatics, instruments, etc., to achieve the effect of ensuring prediction accuracy, improving prediction accuracy and improving effect

Active Publication Date: 2022-03-11
SHANGHAI JIAOTONG UNIV
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In addition, as the evaluation criteria become more and more stringent, there is still room for improvement in the accuracy of previous prediction algorithms

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  • Method and device for predicting topological structure of α-helical transmembrane proteins
  • Method and device for predicting topological structure of α-helical transmembrane proteins
  • Method and device for predicting topological structure of α-helical transmembrane proteins

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[0022] The present invention relates to the field of α-helical transmembrane protein biology, in particular to a multi-scale deep learning-based prediction algorithm for the topology of α-helical transmembrane proteins (MemBrain2.1). The algorithm is mainly divided into two parts: the prediction of the transmembrane α-helix region (TMH) and the position prediction of other regions (non-THM). In the first part, the present invention adopts two deep learning models of different scales and a dynamic threshold algorithm. The first model predicts the TMH position based on the entire sequence, and the second model predicts the TMH position based on a fixed-length sliding window. These two models have good complementarity because of their different scales. By fusing these two models, the accuracy of TMH position prediction can be improved. The dynamic threshold algorithm can detect over-segmentation and under-segmentation, and correct the prediction results of deep learning. In the...

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Abstract

A method for predicting the topology of α-helix transmembrane proteins, organizing training sets, validation sets and test sets according to the definition of transmembrane α-helix TMH; extracting position-specific scoring matrices PSSM and HMM from the sequences in the training set, validation set and test set , water solubility, secondary structure, torsion angle, and hydrophilic index features; use the training set to train the deep residual network model based on the entire sequence and the deep residual network model based on the sliding window. After integrating the average value of the output of the two networks, the dynamic threshold algorithm is used to obtain the TMH area; the training set is used to train the support vector machine model. The input to the model is the junction of other regions non‑TMH and TMH regions; the output is the position of non‑TMH relative to the cell membrane. Firstly predict the TMH region in the protein, then predict the position of non-TMH, and combine the prediction results of the two parts to get the final topology of the protein.

Description

technical field [0001] The invention belongs to the technical field of biological detection, in particular to a method and device for predicting the topological structure of α-helical transmembrane proteins based on multi-scale deep learning. Background technique [0002] The cell membrane is the barrier of the cell, which can isolate the internal environment of the cell from the external environment. The cell membrane is composed of a phospholipid bilayer and a large number of membrane proteins embedded in it. Membrane proteins play an important role in a series of biological processes such as cell signal transduction, ion conductivity, cell aggregation, cell recognition and intercellular communication. Therefore, many drugs are designed to bind to membrane proteins and thereby affect biological processes. [0003] Among all membrane proteins, α-helical transmembrane proteins account for the majority. It is estimated that 27% of the proteins in the human body are alpha-h...

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G16B15/20G16B50/00
CPCG16B15/20G16B50/00
Inventor 沈红斌冯世豪杨静
Owner SHANGHAI JIAOTONG UNIV
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