Essays about: "sc-PDB"

Found 1 essay containing the word sc-PDB.

  1. 1. Learning the shapes of protein pockets

    University essay from Göteborgs universitet/Institutionen för data- och informationsteknik

    Author : Alejandro Corrochano; Yossra Gharbi; [2022-10-14]
    Keywords : Protein; cavity; ligand-binding; 3D-equivariance; shape; latent space; e3nn; Fpocket; sc-PDB;

    Abstract : The comparison of protein pockets plays an important role in drug discovery. Through the identification of binding sites with similar structures, we can assist in finding hits and characterizing the function of proteins. Traditionally, the geometry of cavities has been described with scalar features, which are not fully representative of the shape. READ MORE