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Published on: July 8, 2025
Detailed Protocol for Predicting 3D Structure of DNA Aptamers and Performing In Silico Docking Calculations
Yasuyuki Suzuki1,2,3
1Department of Anaesthesiology, Saiseikai Matsuyama Hospital, Matsuyama, Ehime, Japan.
Abstract:
This paper presents a comprehensive protocol for predicting the three-dimensional (3D) structure of DNA aptamers and performing in silico docking calculations. The protocol includes steps for sequence input, structure prediction, sequence modification, structure minimization, and docking. The procedure is executed on a Mac environment utilizing bioinformatics tools such as mfold, RNA Composer, PyMOL, and Hdock. The protocol is intended to provide a guide for researchers in structural biology and drug design.

