Prediction method of cyclic nucleic acid aptamer tertiary structure of targeted biotoxin
A nucleic acid aptamer and biotoxin technology, applied in the fields of bioinformatics, DNA preparation, instruments, etc., can solve the problems of high cost, considerable differences in aptamers, and time-consuming, and achieve stable docking sites, excellent Accuracy and stability, effects of low binding energy
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[0030] The present invention provides a method for predicting the tertiary structure of a circularized nucleic acid aptamer targeting biological toxins constructed by using oxDNA, the flow chart of which is attached figure 1 As shown, the specific steps are:
[0031] Step S10: Obtain the DNA sequence and generate topology and data files of the sequence
[0032] Make the topology generation file of the predicted circular DNA structure in oxDNA Configure the LINUX system and Python environment before using the software, install the oxDNA software (oxDNA download https: / / dna.physics.ox.ac.uk / index.php / Download_and_Installation), use The first step in oxDNA structure prediction is the circularization structure prediction of nucleic acid sequences. After obtaining the nucleotide (DNA) sequences of the 13STH and P13H aptamers, create a folder and a txt file (requirement: all uppercase) with the nucleic acid sequence and circular comment (CIRCULAR). Use python to run generate.py in...
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