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Experimentally verified flexible molecular docking and dynamic simulation of aptamer with intracellular proteins based on direct DNA 3D structure prediction

Nuoyan Xu, Zeying Wang, Zicong Xu, Xiaofan Zhang, Zhiyi Jin, Xian Dong, Lin Dan

2025International Journal of Biological Macromolecules7 citationsDOI

Topics & Concepts

AptamerDocking (animal)Molecular dynamicsDNABiophysicsComputational biologyIntracellularChemistryBiological systemNanotechnologyMaterials scienceBiologyComputational chemistryGeneticsBiochemistryNursingMedicineAdvanced biosensing and bioanalysis techniquesMolecular Junctions and NanostructuresDNA and Nucleic Acid Chemistry
Experimentally verified flexible molecular docking and dynamic simulation of aptamer with intracellular proteins based on direct DNA 3D structure prediction | Litcius