Protein folding method based on quantum annealing

Abstract

The invention provides a protein folding method based on quantum annealing, and belongs to the technical field of quantum computing. According to the method, a protein folding problem is encoded into a computable optimization problem (QUBO form), and specifically, a regular tetrahedron lattice point model is adopted to simulate the composition of amino acid polypeptide chain molecules in a three-dimensional space; the method comprises the steps of coding binary amino acid sequences, defining the step length and coordinates of any amino acid in the coded binary amino acid sequences in a predetermined direction and the distance between any two amino acids, constructing a corresponding Isin Hamiltonian by adding constraint conditions, and finally evolving the Isin Hamiltonian by utilizing quantum annealing to obtain a final evolution result. The energy optimal solution obtained through evolution is the most stable conformation corresponding to the protein. Therefore, the method utilizes the quantum tunneling effect in quantum annealing to solve the protein problem, the space and time complexity can be greatly reduced, the consumed time is less, and the method has a wide application prospect.

Description

technical field [0001] The invention relates to the technical field of quantum computing, in particular to a protein folding method based on quantum annealing. Background technique [0002] Protein folding is the process by which proteins obtain their functional structure and conformation. Through this physical process, proteins fold from random coils into specific functional three-dimensional structures. The main research purpose of "protein folding" is to predict the selected path of protein folding and determine its final three-dimensional structure based on the specific amino acid sequence of the protein. [0003] The protein random conformation proposed in the prior art has a series of assumptions of various metastable intermediate states in the search research to solve the Reyes paradox of the folding time - the protein folding problem, if the conformation with the smallest free energy is searched through traversal, using The method proposed in the prior art needs to...

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Problems solved by technology

[0003] The protein random conformation proposed in the prior art has a series of assumptions of various metastable intermediate states in the search research to solve the Reyes paradox of the folding time - the prote

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