DynamicBind: predicting ligand-specific protein-ligand complex structure with a deep equivariant gen...
DynamicBind: predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
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Publisher
London: Nature Publishing Group UK
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Language
English
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London: Nature Publishing Group UK
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While significant advances have been made in predicting static protein structures, the inherent dynamics of proteins, modulated by ligands, are crucial for understanding protein function and facilitating drug discovery. Traditional docking methods, frequently used in studying protein-ligand interactions, typically treat proteins as rigid. While mol...
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Full title
DynamicBind: predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
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TN_cdi_doaj_primary_oai_doaj_org_article_6ca6cab59f314b1db99f1750b5c28541
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_6ca6cab59f314b1db99f1750b5c28541
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ISSN
2041-1723
E-ISSN
2041-1723
DOI
10.1038/s41467-024-45461-2
