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Re:AlphaFold Found Possible Psychedelics by mondayp on Thursday January 18, 2024 @10:43PM (#39051337)
AlphaFold’s potential in revolutionizing drug discovery, especially in the realm of psychedelics for antidepressants, marks a significant paradigm shift.
Re:AlphaFold Found Possible Psychedelics by PessimalDecimal on Thursday January 18, 2024 @10:57PM (#39051408)
As a total outsider to this area of research, why is AlphaFold's potential most notable specifically for psychedelics?
Re:AlphaFold Found Possible Psychedelics by cowsandmilk on Friday January 19, 2024 @01:05AM (#39052055)
The protein class they bind to has historically been hard to determine structures experimentally and had high flexibility. The preprint that is the basis of the article showed that using traditional virtual screening against Alphafold structures had similar success rates as screening against experimental structures. Additionally, the Alphafold structures may represent alternative conformations of the proteins not seen in the experiment-derived structures.