Uni of Nottingham, UK
https://ermanisgroup.org/
www.ft.com/content/8882...
www.ft.com/content/8882...
docs.bsky.app/docs/advance...
#AcademicSky #HigherEd #Altmetrics
docs.bsky.app/docs/advance...
#AcademicSky #HigherEd #Altmetrics
Made a starter pack for computational chemists, let me know who I missed please
@jchodera.bsky.social
@olexandr.bsky.social
@jelfschem.bsky.social
Made a starter pack for computational chemists, let me know who I missed please
@jchodera.bsky.social
@olexandr.bsky.social
@jelfschem.bsky.social
www.chemistryworld.com/news/univers...
www.chemistryworld.com/news/univers...
#compchem #molphys #theochem 🧪
go.bsky.app/UGFPoE2
#compchem #molphys #theochem 🧪
go.bsky.app/UGFPoE2
Here, they train a flow-matching model that can be conditioned by atomic coordinates and then use it to design enzymes based on active site geometry specified by density functional theory.
www.biorxiv.org/content/10.1...
Here, they train a flow-matching model that can be conditioned by atomic coordinates and then use it to design enzymes based on active site geometry specified by density functional theory.
www.biorxiv.org/content/10.1...