Difference between revisions of "2025 DOCK tutorial 2 with PDBID 1XMU"

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(Genetic Algorithm)
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== Genetic Algorithm ==
 
== Genetic Algorithm ==
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=== I. Introduction ===
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=== II. Fragment Library Generation ===
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=== III. Running the Genetic Algorithm ===
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=== IV. Conclusions ===
  
 
== De Novo Refinement ==
 
== De Novo Refinement ==

Revision as of 15:20, 24 February 2025

Introduction

Structure Preparation

Sphere Generation

Grid Generation

Energy Minimization

Docking

Virtual Screening

Cartesian Minimization

Rescoring and Ranking

Genetic Algorithm

I. Introduction

II. Fragment Library Generation

III. Running the Genetic Algorithm

IV. Conclusions

De Novo Refinement