2022 Denovo tutorial 1 with PDBID 6ME2

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This article is a continuation of PDBID 6ME2, with the previous one detailing how to run a virtual screen on this protein. This article will detail how to run a focused de novo design experiment on 6ME2.

I. De novo design

  • Define and describe difference between focused and generic de novo design*

Generating a fragment library

Running a focused de novo experiment

Focused de novo rescore