Difference between revisions of "2021 Denovo tutorial 3 with PDBID 1S19"
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= Focused Denovo Design with PDB 1S19 = | = Focused Denovo Design with PDB 1S19 = | ||
| − | In this section, we will generate new ligand structures using a fragment library. | + | In this section, we will generate new ligand structures using a fragment library. It will require the use of some of the output files from the Virtual Screen tutorial (found [https://ringo.ams.stonybrook.edu/index.php/2021_DOCK_tutorial_3_with_PDBID_1S19 here]). |
===Fragment Libraries=== | ===Fragment Libraries=== | ||
Revision as of 15:06, 8 March 2021
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.
Contents
Focused Denovo Design with PDB 1S19
In this section, we will generate new ligand structures using a fragment library. It will require the use of some of the output files from the Virtual Screen tutorial (found here).
