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How to install AutoDock 4 and AutoDock Vina on Linux (RHEL OS) ?

  • Writer: Raja Karmakar
    Raja Karmakar
  • Oct 8, 2024
  • 2 min read

Updated: Oct 8, 2024

autodock

AutoDock 4 is a widely used computational software tool designed to predict small molecules' binding poses and affinities to macromolecules, such as proteins or nucleic acids. This process, known as molecular docking, plays a crucial role in drug discovery and structural biology.


  • Lamarckian Genetic Algorithm (GA): This algorithm employs a robust GA for efficient exploration of the conformational space, ensuring global optimization.


  • Local Search: Incorporates a local search algorithm to refine the binding poses and improve accuracy. Allows for the flexible treatment of ligands during docking, capturing the conformational changes that may occur upon binding.


  • Force Field Support: Supports various force fields to model molecular interactions and energetics accurately.


  • Drug Discovery: Identification of potential drug candidates by screening large libraries of molecules against target proteins.


AutoDock 4 has been instrumental in advancing drug discovery research and has contributed significantly to our understanding of molecular interactions.


In this section, we will explain How to install AutoDock 4 on your Linux system (RHEL-based OS), and also elaborate on how to use AutoDock Vina through the terminal interface.


One of the most time-consuming and frustrating aspects of computational tasks has always been properly installing software and getting it up and running in no time.


Before running any of the commands below, run this command once:

sudo dnf update #forFedora
sudo yum update #forCentOS

Installation of AutoDock Suite

sudo dnf install autodock
# This will install the AutoDock v4.2.6 suite in your system.

Installation of AutoDock-Vina

sudo dnf install -y autodock-vina
vina

Now both of the installations are complete and have been successfully installed on your system.


We hope this article really fulfils your needs and have a great scientific career ahead.


In seeking professional research assistance, consider Kapsid Simulations, a prominent emerging company dedicated to streamlining and cost-effectively facilitating the research process. Our team is readily available to assist you; simply send an email to info@kapsid.com

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