A nucleic acid aptamer design method based on single nucleotide molecular docking
A nucleic acid aptamer, molecular docking technology, applied in biochemical equipment and methods, genetic engineering, microbial assay/inspection, etc. question
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[0034] The specific process of the method of the present invention will be further described below by taking the computational design method of the nucleic acid aptamer OA-D1 targeting OA (Okadaic acid) as an example.
[0035] Step 1: Perform hydration docking of single nucleotides to obtain the position of single nucleotides bound to the surface of small toxin molecules;
[0036] The first step aims to obtain the positions of mononucleotides bound on the OA surface. The molecular docking method can quickly find the main binding site of OA and the binding position of each nucleotide (A, C, G, T) on its surface. In the first docking, the receptor molecule is the toxin small molecule OA, its structure comes from the PDB database (ID: 2I4E), and the ligand molecule is each nucleotide; in the second molecular docking, the receptor molecule is the toxin small molecule OA And the nucleotides retained after docking, the ligand molecule is still each nucleotide. The software used fo...
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