Snake simulating method in protein folding emulation

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...

AI Technical Summary

Problems solved by technology

However, due to ignoring a large number of specific details of the folding process, the simulated folding process has a large deviation from the actual process, and the folding process of many proteins cannot be simulated.

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