Cheminformatics and biomolecular dynamics studies towards the discovery of anti-staphylococcal nuclease domain-containing 1 (SND1) inhibitors to treat metastatic breast cancer.

2.4 Molecular dynamics simulation As often, the docking predictions are inaccurate, further validation especially through molecular dynamics simulation is highly significant ( Alamri et al., 2023 , Humayun et al., 2021 ).

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