Difference between revisions of "2023 Denovo tutorial 1 with PDBID 4S0V"
From Rizzo_Lab
Stonybrook (talk | contribs) (→Introduction) |
Stonybrook (talk | contribs) (→Introduction) |
||
Line 13: | Line 13: | ||
− | + | =DeNovo Refinement= | |
− | + | =Generic DeNovo Design= | |
− | + | =Focused Fragment Design= | |
=Focused De Novo Design= | =Focused De Novo Design= |
Revision as of 16:45, 2 March 2023
Contents
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: