Snake simulating method in protein folding emulation

A protein folding and protein technology, which is applied in the field of simulation of protein folding, can solve the problem that the protein folding process cannot be simulated, and achieve the effect of reducing manpower

Inactive Publication Date: 2009-05-20
HARBIN ENG UNIV
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Problems solved by technology

However, due to ignoring a large number of specific details of the folding process, the simulated folding proce

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  • Snake simulating method in protein folding emulation
  • Snake simulating method in protein folding emulation
  • Snake simulating method in protein folding emulation

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Embodiment Construction

[0060] The present invention is described in more detail below in conjunction with accompanying drawing example:

[0061] The folding process of the present invention is as follows: (1) initial state: a straight line protein sequence; (2) when starting to fold: do wave motion, represented by function sin (t); (3) late stage of folding: do short straight line motion , represent with function x=x+t; (4) finish folding: do coiling motion, represent with following function, x(t)=(C 1 cos(ωt)+C 2 sin(ωt)), where C and ω are coefficients, which are related to the properties of the protein itself. During the running of the algorithm, the total energy of the control peptide chain is minimum, and when the total minimum energy of the peptide chain no longer changes, the algorithm ends.

[0062] The steps of imitating snake algorithm among the present invention:

[0063] 1. Initial state: Randomly generate the configuration of a protein sequence. Given the number of amino acid residu...

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Abstract

The invention provides a snake simulation method in protein folding simulation. (1) an initial state: serving as a straight protein sequence; (2) starting of folding: making wave motion and expressing by a function of sin(t); (3) later stage of folding: making temporary rectilinear motion and expressing by a function that x is equal to x plus t; and (4) end of folding: making coiling motion, and expressing by a function that x(t) is equal to (C<1>cos(omega t) plus C<2>sin(omega t)), wherein C and omega are coefficients and related to self characteristics of protein. For the protein with unknown space structure, by the snake simulation algorithm, an intermediate body and final space structure of a protein chain are predicted, thereby reducing human and material resources consumed in the process of measuring the space structure of the protein, and simultaneously providing folding analysis for theory researchers to refer.

Description

(1) Technical field [0001] The invention relates to a protein computer folding method. (2) Background technology [0002] The research on protein folding began in the early 1960s. Professor Anfinsen of the National Institutes of Health and his colleagues found that ribonucleases that were inactive due to the addition of denaturants could spontaneously fold into The native conformation thus becomes physiologically active again, and this process can be repeated. [0003] In 1968, Levinthal pointed out in a paper that the number of possible conformations that protein molecules can adopt is an astronomical number, and its natural conformation has only one, which makes some scientists believe that there must be a special folding pathway, Proteins fold along this pathway, rapidly folding into their native conformation through a series of specific intermediates. [0004] Since the 1970s, several research groups have successively found signs of the existence of intermediates in th...

Claims

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Application Information

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IPC IPC(8): G06F19/00G06F19/16
Inventor 张菁陈怀友李艳波李松赵明王立伟王海玲于思亮温乃锋刘波
Owner HARBIN ENG UNIV
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