Generating 3D small binding molecules using shape-conditioned diffusion models with guidance

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DOI:10.1038/s42256-025-01030-w
文献类型：期刊论文
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文献链接：https://doi.org/10.1038/s42256-025-01030-w

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Abstract：Drug development is a critical but notoriously resource- and time-consuming process. Traditional methods, such as high-throughput screening, rely on opportunistic trial and error and cannot

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