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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

Active 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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However, the WangLandau algorithm still needs to be further improved in terms of calculation accuracy and speed.

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

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[0075] 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 the accompanying drawings and embodiments. It should be understood that the specific embodiments described here are only used to explain the present invention, not to limit the present invention.

[0076] In addition, the technical features involved in the various embodiments of the present invention described below can be combined with each other as long as they do not constitute a conflict with each other.

[0077] The present invention provides a high-efficiency stochastic simulation method for protein thermodynamic analysis based on a mixed parallel method, such as figure 1 As shown, the method includes:

[0078] Step A: Determine protein energy model and energy interval;

[0079] Step B: determining the segmentation method of the protein energy interval;

[0080] Step C: Simulate and ...

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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.

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...

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G06F19/18
Inventor 彭丰斌魏彦杰张慧玲弓英瑛
Owner 深圳市弘志拓新创业投资企业(有限合伙)
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