An Efficient Stochastic Simulation Method for Protein Thermodynamic Analysis Based on Hybrid Parallel Method

A technique of thermodynamic analysis and stochastic simulation, applied in the field of bioinformatics analysis
CN103729577BActive Publication Date: 2017-08-22深圳市弘志拓新创业投资企业(有限合伙)
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Patent Information

Authority / Receiving Office
CN · China
Patent Type
Patents(China)
Current Assignee / Owner
深圳市弘志拓新创业投资企业(有限合伙)
Publication Date
2017-08-22

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Abstract

The invention relates to the technical field of biological information analysis, and provides an efficient stochastic simulation method for protein thermodynamic analysis based on a hybrid parallel method, comprising: step A: determining a protein energy model and an energy interval; step B: determining the fraction of the protein energy interval Section method; Step C: Simulate and calculate the density of states of the protein system. By using the method provided by the present invention, the whole thermodynamic process of protein folding can be efficiently analyzed and studied, and then the protein folding process can be explored and studied.
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Description

[0001] 【Technical field】

[0002] The invention relates to the technical field of biological information analysis, in particular to a high-efficiency stochastic simulation method for protein thermodynamic analysis based on a mixed parallel mode.

[0003] 【Background technique】

[0004] Protein folding mainly studies how proteins fold from one-dimensional polypeptide chains to natural three-dimensional structures in a short period of time to form macromolecules with life functions. The genetic information (DNA) of organisms is transmitted to proteins through the process of RNA transcription and translation (that is, the central dogma), so protein folding is also called the second genetic code, and its research can help reveal the expression and function transmission of life genetic information mystery. During the folding process from the one-dimensional polypeptide chain to the natural three-dimensional structure, the protein may misfold or aggregate, and its structure and func...

Claims

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