Difference between revisions of "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. | 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 | In this section, we will generate new ligand structures using a fragment library. We will then | ||
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| + | ===Fragment Libraries=== | ||
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| + | ===Focused Denovo Growth=== | ||
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| + | ===Focused Denovo Rescore=== | ||
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| + | = Generic Denovo Design with PDB 1S19 = | ||
Revision as of 15:03, 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. We will then
