Nucleic acid molecular structure screening method and device and computer equipment
A nucleic acid molecule and molecular structure technology, applied to quantum computers, used to analyze two-dimensional or three-dimensional molecular structures, computer components, etc., can solve the problem of inaccurate screening results and achieve the effect of improving accuracy
Pending Publication Date: 2022-05-13
深圳市硬核酸生物科技有限公司
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[0004] However, the method for screening nucleic acid molecular configurations in related technologies is mainly based on the energy distribution of basic nucleic acid molecules. The calculation of energy distribution is a method of simulating the natural world through physical simulation experiments. The physical simulation experiments themselves rely on mathematical methods to approximate solutions, resulting in Filter results are not precise enough
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[0043] In order to make the purpose, technical solution and advantages of the present disclosure clearer, the implementation manners of the present disclosure will be further described in detail below in conjunction with the accompanying drawings.
[0044] Unless otherwise defined, the technical terms or scientific terms used herein shall have the usual meanings understood by those having ordinary skill in the art to which the present disclosure belongs. "First", "second", "third" and similar words used in the specification and claims of this disclosure do not indicate any order, quantity or importance, but are only used to distinguish different components . Likewise, words like "a" or "one" do not denote a limitation in quantity, but indicate that there is at least one. Words such as "comprises" or "comprises" and similar terms mean that the elements or items preceded by "comprises" or "comprises" include the elements or items listed after "comprises" or "comprises" and thei...
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The invention provides a nucleic acid molecular structure screening method and device and computer equipment. The method comprises the following steps: acquiring nucleic acid molecule parameters, wherein the nucleic acid molecule parameters comprise a nucleic acid molecule sequence, the length of the nucleic acid molecule sequence, chemical modification of nucleic acid molecules, a plurality of to-be-screened nucleic acid molecule configurations obtained based on quantum mechanics and molecular dynamics calculation simulation, and corresponding energy and experimental data; searching a nucleic acid library for a similar nucleic acid molecular structure of each nucleic acid molecular configuration in the plurality of nucleic acid molecular configurations to be screened; on the basis of the stability of the similar nucleic acid molecular structures and the energy and experimental data corresponding to the multiple to-be-screened nucleic acid molecule configurations, probability distribution calculation is conducted on the multiple to-be-screened nucleic acid molecule configurations; and according to the probability distribution of the plurality of to-be-screened nucleic acid molecule configurations, screening at least one nucleic acid molecule configuration of which the stability meets the condition in the plurality of to-be-screened nucleic acid molecule configurations.
Description
technical field [0001] The present disclosure relates to the field of biotechnology, in particular to a nucleic acid molecular structure screening method, device, and computer equipment. Background technique [0002] Nucleic acid is one of the basic substances in cells, and predicting the molecular structure of nucleic acids is helpful for the study of their functions. [0003] Related technologies provide a nucleic acid molecular structure prediction method based on quantum mechanics and molecular dynamics. The method performs simulation calculations based on quantum mechanics and molecular dynamics to determine multiple configurations of nucleic acid molecules to be screened. Screen the energy distribution of nucleic acid molecular configurations, and screen out one or more nucleic acid molecular configurations whose stability meets the conditions for research. [0004] However, the method for screening nucleic acid molecular configurations in related technologies is main...
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Login to View More IPC IPC(8): G16B15/00G16C10/00G06K9/62G06N10/60
CPCG16B15/00G16C10/00G06N10/00G06F18/22
Inventor谢禹鑫陈盛培陈婉婷潘小瑜
Owner深圳市硬核酸生物科技有限公司