Computational design and validation of siRNA molecules to silence oncogenic CTNNB1 mRNA as a potential therapeutic strategy against hepatitis B/C virus-associated hepatocellular carcinoma

Retrieval of CTNNB1 CDS and multiple sequence alignment

Prediction of siRNAs

GC content, presence of palindromic sequences, and off-target similarity search

Prediction of target site accessibility

Secondary structure prediction of siRNA and mRNA-siRNA duplexes and thermodynamics analysis

Structure retrieval and optimization of human Argonaute 2

siRNA tertiary structure modeling

Molecular docking of siRNAs to human Argonaute 2

Molecular dynamics of the siRNA-Ago2 complex

Binding energy calculation

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