Accelerating drug target inhibitor discovery with a deep generative foundation model

Inhibitor discovery for emerging drug-target proteins is challenging, especially when target structure or active molecules are unknown. Here, we experimentally validate the broad utility of a deep generative framework trained at-scale on protein sequences, small molecules, and their mutual interacti...

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Detalles Bibliográficos
Autores principales: Chenthamarakshan, Vijil, Hoffman, Samuel C., Owen, C. David, Lukacik, Petra, Strain-Damerell, Claire, Fearon, Daren, Malla, Tika R., Tumber, Anthony, Schofield, Christopher J., Duyvesteyn, Helen M.E., Dejnirattisai, Wanwisa, Carrique, Loic, Walter, Thomas S., Screaton, Gavin R., Matviiuk, Tetiana, Mojsilovic, Aleksandra, Crain, Jason, Walsh, Martin A., Stuart, David I., Das, Payel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Association for the Advancement of Science 2023
Materias:
Biomedicine and Life Sciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10284550/
https://www.ncbi.nlm.nih.gov/pubmed/37343087
http://dx.doi.org/10.1126/sciadv.adg7865

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