2021 Denovo tutorial 3 with PDBID 1S19

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This tutorial continues where we left off from the virtual screening of 1S19, a structure of the vitamin D nuclear receptor bound to the side chain analogue calcipotriol.

Focused Denovo Design with PDB 1S19

In this section, we will generate new ligand structures using a fragment library. We will then

Fragment Libraries

Focused Denovo Growth

Focused Denovo Rescore

Generic Denovo Design with PDB 1S19