Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

The SLC15A4-LAMTOR1 interaction licenses endolysosomal TLR-mediated mTOR signaling and inflammatory cytokine production.

bioRxiv : the preprint server for biology·2026
Same author

Author Correction: Posttranslational modifications remodel proteome-wide ligandability.

Nature chemical biology·2026
Same author

Genetic and pharmacological inactivation of peptidoglycan remodeling increases antibiotic susceptibility of vancomycin-resistant Enterococcus faecium.

Nature communications·2026
Same author

Posttranslational modifications remodel proteome-wide ligandability.

Nature chemical biology·2026
Same author

Genetic and pharmacological inactivation of peptidoglycan remodeling increases antibiotic susceptibility of vancomycin-resistant <i>Enterococcus faecium</i>.

bioRxiv : the preprint server for biology·2026
Same author

Pharmacological Inhibition of SLC33A1 Promotes Endoplasmic Reticulum Hyperoxidation and Induces Adaptive IRE1/XBP1s Signaling.

bioRxiv : the preprint server for biology·2026

Related Experiment Video

Updated: Aug 5, 2025

Pooled CRISPR-Based Genetic Screens in Mammalian Cells
09:05

Pooled CRISPR-Based Genetic Screens in Mammalian Cells

Published on: September 4, 2019

22.1K

Ringtail: A Python Tool for Efficient Management and Storage of Virtual Screening Results.

Althea T Hansel-Harris1, Diogo Santos-Martins1, Niccolò Bruciaferri1

  • 1Department of Integrative Structural and Computational Biology, Scripps Research, La Jolla, California 92037, United States.

Journal of Chemical Information and Modeling
|March 28, 2023
PubMed
Summary

Ringtail, a new Python tool, efficiently manages large virtual screening datasets using SQLite databases. This AutoDock Suite addition significantly reduces storage needs and speeds up data analysis for drug discovery.

More Related Videos

Development of automated imaging and analysis for zebrafish chemical screens.
10:49

Development of automated imaging and analysis for zebrafish chemical screens.

Published on: June 24, 2010

11.5K
A Microscopic Phenotypic Assay for the Quantification of Intracellular Mycobacteria Adapted for High-throughput/High-content Screening
15:28

A Microscopic Phenotypic Assay for the Quantification of Intracellular Mycobacteria Adapted for High-throughput/High-content Screening

Published on: January 17, 2014

7.8K

Related Experiment Videos

Last Updated: Aug 5, 2025

Pooled CRISPR-Based Genetic Screens in Mammalian Cells
09:05

Pooled CRISPR-Based Genetic Screens in Mammalian Cells

Published on: September 4, 2019

22.1K
Development of automated imaging and analysis for zebrafish chemical screens.
10:49

Development of automated imaging and analysis for zebrafish chemical screens.

Published on: June 24, 2010

11.5K
A Microscopic Phenotypic Assay for the Quantification of Intracellular Mycobacteria Adapted for High-throughput/High-content Screening
15:28

A Microscopic Phenotypic Assay for the Quantification of Intracellular Mycobacteria Adapted for High-throughput/High-content Screening

Published on: January 17, 2014

7.8K

Area of Science:

  • Computational chemistry
  • Drug discovery
  • Bioinformatics

Background:

  • Virtual screening is crucial for early-stage drug discovery, enabling rapid evaluation of large compound libraries.
  • Managing and storing the vast amounts of data generated from virtual screening presents significant challenges.
  • Existing methods often struggle with scalability and efficiency as library sizes increase.

Purpose of the Study:

  • To introduce Ringtail, a novel Python tool designed for efficient storage and analysis of virtual screening data.
  • To provide a solution for managing large datasets generated by molecular docking software.
  • To enhance existing virtual screening workflows by offering improved data handling capabilities.

Main Methods:

  • Development of Ringtail, a Python tool integrated into the AutoDock Suite.
  • Utilization of portable SQLite databases for data storage and management.
  • Designed for compatibility with AutoDock-GPU and AutoDock Vina, with modularity for other software.

Main Results:

  • Ringtail dramatically reduces disk storage requirements (36-46 fold) by optimizing pose selection and using a relational database format.
  • Ligand filtering times are significantly decreased, enabling the processing of millions of ligands in minutes.
  • The tool offers efficient storage and analysis of virtual screening results.

Conclusions:

  • Ringtail provides an efficient and scalable solution for managing virtual screening data in drug discovery.
  • The tool streamlines data handling, reduces storage costs, and accelerates analysis.
  • Ringtail is readily integrable into existing AutoDock-GPU and Vina pipelines and is adaptable for diverse user needs.