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Related Concept Videos

Genetic Screens02:46

Genetic Screens

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Genetic screens are tools used to identify genes and mutations responsible for phenotypes of interest. Genetic screens help identify individuals or a group of people at risk of developing  genetic diseases and help them with early intervention, targeted therapy, and reproductive options.
Forward genetic screens
Forward or “classical” genetic screens involve creating random mutations in an organism’s DNA using radiation, mutagens, or insertion of additional bases, which...
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Related Experiment Video

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High Content Screening in Neurodegenerative Diseases
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Portals and Web-Based Resources for Virtual Screening.

Jens Krüger1, Philipp Thiel, Ivan Merelli

  • 1Applied Bioinformatics Group, Department of Computer Science, Eberhard Karls Universität Tübingen, Sand 14, 72076 Tübingen, Germany.

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|February 5, 2016
PubMed
Summary
This summary is machine-generated.

Virtual screening accelerates drug discovery by predicting compound binding modes. This review guides researchers through available online tools for compound databases and docking applications, ensuring scientifically reliable results.

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Area of Science:

  • Computational chemistry
  • Drug discovery
  • Structural biology

Background:

  • Virtual screening is crucial for efficient drug development.
  • Computer-based prediction of compound binding modes saves time and cost.
  • Selecting appropriate computational tools is vital for researchers.

Purpose of the Study:

  • To provide an overview of online resources for drug discovery and virtual screening.
  • To assist structural biologists in choosing optimal analysis tools.
  • To discuss key aspects of user interface, security, data management, and performance.

Main Methods:

  • Literature review of online resources.
  • Analysis of compound databases and docking applications.
  • Evaluation of science gateways for drug discovery.

Main Results:

  • Identification of key online resources for virtual screening.
  • Discussion of user interface, security, data management, and computational performance factors.
  • Categorization of tools to aid researchers in selection.

Conclusions:

  • A comprehensive overview of virtual screening resources is presented.
  • Guidance is provided for selecting appropriate computational tools.
  • The review aims to enhance the reliability of drug discovery results.