3D molecular generative framework for interaction-guided drug design
3D molecular generative framework for interaction-guided drug design
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London: Nature Publishing Group UK
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English
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London: Nature Publishing Group UK
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Deep generative modeling has a strong potential to accelerate drug design. However, existing generative models often face challenges in generalization due to limited data, leading to less innovative designs with often unfavorable interactions for unseen target proteins. To address these issues, we propose an interaction-aware 3D molecular generativ...
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3D molecular generative framework for interaction-guided drug design
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TN_cdi_doaj_primary_oai_doaj_org_article_d0211f0150f74e5ab63156f8398ffa7a
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_d0211f0150f74e5ab63156f8398ffa7a
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ISSN
2041-1723
E-ISSN
2041-1723
DOI
10.1038/s41467-024-47011-2
