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Molecular docking emerges as a particularly valuable tool in designing, evaluating, and comparing new drugs, as it enables the examination of molecular interactions in three-dimensional space, considering various molecular forms and elucidating the factors crucial for pharmacological interactions (Stanzione et al

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10.3389/fimmu.2024.1361519 9 FlossmannO.BaconP.de GrootK.JayneD.RasmussenN.SeoP.et al (2007)