Geometric machine learning method promises to accelerate precision drug development
by CeMM Research Center for Molecular Medicine of the Austrian Academy of Sciences Comparison between crystallographic data and AlphaFold2 predictions....
by CeMM Research Center for Molecular Medicine of the Austrian Academy of Sciences Comparison between crystallographic data and AlphaFold2 predictions....
Details of the chemical synthesis for the compound libraries can be found in the Supplementary Information file.Data preparationVirtual libraryWe utilized the...