2023 Denovo tutorial 1 with PDBID 4S0V

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Revision as of 16:36, 2 March 2023 by Stonybrook (talk | contribs) (Introduction)
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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.

== For this section

Generic DeNovo Design

Focused Fragment Design

DeNovo Refinement

Focused De Novo Design

Fragment Libraries

Focused De Novo Growth

Rescoring

Generic Denovo Growth

Generating the Generic Fragment Library

Generic Denovo Rescoring