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Protein structure prediction method based on geometric network

A protein structure, geometric network technology, used in the analysis of two-dimensional or three-dimensional molecular structures, instruments, biological systems, etc.

Pending Publication Date: 2021-12-31
苏州浦意智能医疗科技有限公司
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

But after nearly forty years of unremitting efforts, the puzzle remains unresolved

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  • Protein structure prediction method based on geometric network
  • Protein structure prediction method based on geometric network
  • Protein structure prediction method based on geometric network

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Embodiment 1

[0039] In order to make the object, technical solution and advantages of the present invention clearer, the present invention will be further described in detail below in conjunction with specific embodiments and with reference to the accompanying drawings.

[0040] A method for predicting protein structure based on a geometric network, the method comprising the steps of:

[0041] S1, input an amino acid sequence and PSSM matrix (position-specific scoring matrix) into the computing unit to obtain the hidden state of the computing unit;

[0042] The computing unit is composed of a cyclic geometric network. For each amino acid residue position (residueposition), the computing unit integrates amino acid information and PSSM matrix information with information from adjacent units to obtain the hidden state of the computing unit; for each The calculation of amino acid residues integrates information from upstream and downstream of residues, covering the entire protein.

[0043] Th...

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Abstract

The invention provides a protein structure prediction method based on a geometric network, and the method comprises the steps: S1, inputting an amino acid sequence and a PSSM matrix into a calculation unit, and obtaining a hidden state of the calculation unit; S2, inputting the hidden state of the calculation unit into a geometric unit, calculating a torsion angle of a given residue and a partially completed backbone generated by the upstream geometric unit by the geometric unit to obtain a new backbone of residue extension, and inputting the backbone into an adjacent downstream unit to obtain torsion angle information of protein, and finally, outputting a complete tertiary structure of the protein; and S3, calculating an error between the prediction structure and the experiment structure based on the dRMSD measurement.

Description

technical field [0001] The present invention relates to the fields of bioinformatics and computer applications, and further relates to the field of protein tertiary structure prediction, in particular, a geometric network-based protein structure prediction method. Background technique [0002] Protein structure prediction is a major problem in the field of life sciences. Almost every basic biological advance necessary for life has been made possible by proteins. Proteins are involved in creating cells and tissues and maintaining their shape, constituting enzymes that catalyze the chemical reactions needed to sustain life, acting as molecular factories, transporters and motors, serving as signals and receivers for cellular communication, and more. [0003] Proteins are made up of long chains of amino acids that perform myriad tasks by folding into precise 3D structures that control how they interact with other molecules. Proteins are made up of 20 different amino acids. Th...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16B5/00G16B15/20G16B30/10G16B40/00G16B15/30
CPCG16B5/00G16B15/20G16B30/10G16B40/00G16B15/30
Inventor 陈国豪蔡翔
Owner 苏州浦意智能医疗科技有限公司