including in structure-based drug design. Drago began exploring a technique to pinpoint otherwise elusive hydrogens that ...

A protein has many identities and one of them ... (This method reveals a crystal’s structure based on how its constituent atoms scatter X-rays. For this the proteins need to be purified and ...

which is trained on crystal protein–ligand complexes to estimate pose confidence. In addition, SurfDock integrates multimodal protein information such as surface features, residue structure ...