Difference between revisions of "2023 Denovo tutorial 1 with PDBID 4S0V"
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=Introduction= | =Introduction= | ||
This next section will walk you through the three options for DeNovo Design: | This next section will walk you through the three options for DeNovo Design: | ||
| − | + | #Generic DeNovo Design | |
| − | + | #Focused Fragment Design | |
| − | + | #DeNovo Refinement | |
and will be a continuation of the Virtual Screening tutorial. We will continue this work with #4s0v from the Protein Data Base. | and will be a continuation of the Virtual Screening tutorial. We will continue this work with #4s0v from the Protein Data Base. | ||
| − | == | + | ==Setting Up Your Environment== |
| − | For this section | + | For this section we will need to create some more directories following this structure: |
| + | |||
| + | |||
| + | |||
| + | ==DeNovo Refinement== | ||
==Generic DeNovo Design== | ==Generic DeNovo Design== | ||
==Focused Fragment Design== | ==Focused Fragment Design== | ||
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| − | |||
=Focused De Novo Design= | =Focused De Novo Design= | ||
Revision as of 16:43, 2 March 2023
Introduction
This next section will walk you through the three options for DeNovo Design:
- Generic DeNovo Design
- Focused Fragment Design
- DeNovo Refinement
and will be a continuation of the Virtual Screening tutorial. We will continue this work with #4s0v from the Protein Data Base.
Setting Up Your Environment
For this section we will need to create some more directories following this structure:
