RNA tertiary structure prediction method based on parallel and Monte Carlo strategies

Abstract

The invention discloses an RNA tertiary structure prediction method based on parallel and Monte Carlo strategies, and belongs to the field of structure prediction. The method comprises the following steps: performing conformation space sampling by using a parallel mechanism; scoring is carried out according to the latest updated energy function; performing reasonability judgment on the conformation based on Monte Carlo operation of Stepwise annatz through two rounds of potential energy judgment; and finally, judging structural integrity and modeling precision, and processing a result until a stable high-precision and high-integrity RNA tertiary structure is obtained. According to the RNA tertiary structure prediction method provided by the invention, the high-precision and high-integrity RNA tertiary structure can be obtained. The RNA three-level structure prediction method based on parallel and Monte Carlo strategies is high in flexibility, the Monte Carlo times can be specified, and the modeling precision and the modeling time cost can be measured by a user; according to the method, the problem that RNA motif modeling is incomplete in the prior art is solved; according to the method, the breadth and depth of conformation sampling are increased, the influence of pseudo minimum free energy is reduced, and the modeling precision is improved.

Description

technical field [0001] The invention belongs to the field of structure prediction, and in particular relates to a method for predicting RNA tertiary structure based on parallel and Monte Carlo strategies. Background technique [0002] New research has found that RNA has some complex biological functions. Structure determines function, so if you want to explore the function of RNA, you must first understand the structure of RNA. At present, there are mainly two methods for the determination of RNA tertiary structure at home and abroad. The first method is to use experimental determination methods such as x-rays, nuclear magnetic resonance, and cryo-electron microscopy. The results measured by experimental methods are relatively accurate and reliable, but the number of conformations increases exponentially with the increase in RNA length, resulting in relatively high cost. high. The second method is a structure prediction method based on biological computing. The current RN...

AI Technical Summary

Problems solved by technology

[0004] Aiming at the defects of existing RNA structure prediction methods, the present invention provides a RNA tertiary structure prediction method SMCP based on parallel and Monte Carlo strategies

Its purpose is to solve the defects of single-threaded conformational sampling in the current RNA structure prediction method and the problem of low modeling integrity and accuracy

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