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Structure-based drug design relies on the three-dimensional structural information of target biomolecules obtained through X-ray crystallography, NMR spectroscopy, or cryo-EM, which are central resources in structural OMICS. By visualizing the atomic architecture of proteins, nucleic acids, or complexes, SBDD enables rational design of ligands that fit precisely into active or allosteric sites. Computational tools such as molecular ____ ____ _____ ________ _____ _____ ____.
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