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

Midrange01:07

Midrange

4.1K
A somewhat easy to compute quantitative estimate of a data set’s central tendency is its midrange, which is defined as the mean of the minimum and maximum values of an ordered data set.
Simply put, the midrange is half of the data set’s range. Similar to the mean, the midrange is sensitive to the extreme values and hence the prospective outliers. However, unlike the mean, the midrange is not sensitive to all the values of the data set that lie in the middle. Thus, it is prone to...
4.1K
Anchoring Junctions01:03

Anchoring Junctions

4.6K
Anchoring junctions are multiprotein complexes that help cells connect to other cells and the extracellular matrix. Anchoring junctions are present on the lateral and basal surfaces of cells, providing strong and flexible connections. Focal adhesions are often formed due to cell interactions with the ECM substrata, which initiate signal transduction via kinase cascades and other mechanisms. Together, they provide stability and tissue integrity. There are three types of anchoring junctions:...
4.6K
Drug Dissolution: Requirements and Profile Comparison01:14

Drug Dissolution: Requirements and Profile Comparison

143
The acceptance criteria for dissolution profile data are anchored in Q values, representing the percentage of drug dissolved within a specified period. This assessment unfolds in three stages:First Stage: The test passes if all six drug dosage units are equal to or greater than Q plus 5%; otherwise, the sample proceeds to the second stage.Second Stage: The average of twelve units must be equal to or greater than Q, with no unit falling below Q - 15% to pass; if not, it progresses to the final...
143
Drug Discovery: Overview01:26

Drug Discovery: Overview

10.7K
Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
10.7K
Design Example: Vintage Mixing Console01:17

Design Example: Vintage Mixing Console

444
A sound engineer at a music company recently encountered a problem. The output from their newly acquired studio's vintage mixing console was too low for the requirements of modern recording equipment. To rectify this situation, the engineer decided to design an audio pre-amplifier using an operational amplifier (op-amp) to boost the signal level.
The specifications for the pre-amplifier were clear. It needed to amplify the audio signal by a factor of 10, have an input impedance above 10...
444
Buoyancy and Stability for Submerged and Floating Bodies01:11

Buoyancy and Stability for Submerged and Floating Bodies

2.4K
In fluid mechanics, buoyancy and stability are key concepts for understanding the behavior of submerged and floating bodies. When a stationary body is fully or partially submerged in a fluid, the fluid exerts a force on the body known as the buoyant force. This force acts vertically upward through a point called the center of buoyancy, which is the center of the displaced fluid volume. According to Archimedes' principle, the magnitude of the buoyant force is equal to the weight of the fluid...
2.4K

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: Dec 11, 2025

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

918

The AutoDock suite at 30.

David S Goodsell1,2, Michel F Sanner1, Arthur J Olson1

  • 1Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, California, USA.

Protein Science : a Publication of the Protein Society
|August 19, 2020
PubMed
Summary
This summary is machine-generated.

The AutoDock suite offers advanced computational tools for drug design, leveraging 30 years of development. It supports complex systems and fosters a collaborative community for drug discovery and development.

Keywords:
AutoDockactive site predictioncomputational dockingcomputer-aided drug designforce fieldpeptide-docking

More Related Videos

Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs
05:00

Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs

Published on: August 9, 2024

1.7K
Methods for Image-based Surveys of Benthic Macroinvertebrates and Their Habitat Exemplified by the Drop Camera Survey for the Atlantic Sea Scallop
07:43

Methods for Image-based Surveys of Benthic Macroinvertebrates and Their Habitat Exemplified by the Drop Camera Survey for the Atlantic Sea Scallop

Published on: July 2, 2018

9.9K

Related Experiment Videos

Last Updated: Dec 11, 2025

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

918
Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs
05:00

Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs

Published on: August 9, 2024

1.7K
Methods for Image-based Surveys of Benthic Macroinvertebrates and Their Habitat Exemplified by the Drop Camera Survey for the Atlantic Sea Scallop
07:43

Methods for Image-based Surveys of Benthic Macroinvertebrates and Their Habitat Exemplified by the Drop Camera Survey for the Atlantic Sea Scallop

Published on: July 2, 2018

9.9K

Area of Science:

  • Computational chemistry
  • Structural biology
  • Drug discovery

Background:

  • The AutoDock suite has a 30-year history of method development in computational chemistry.
  • It provides a comprehensive toolkit for ligand docking and drug design.
  • The suite addresses complex challenges in molecular modeling.

Purpose of the Study:

  • To present the AutoDock suite as a robust platform for computational drug design.
  • To highlight its advanced features for handling challenging molecular systems.
  • To emphasize its role in fostering a collaborative research community.

Main Methods:

  • Utilizes empirical free energy force fields for accurate binding energy calculations.
  • Incorporates advanced docking engines for predicting ligand-receptor interactions.
  • Offers specialized tools for covalent inhibitors, peptides, macrocycles, and flexible receptors.
  • Includes interactive visualization and analysis tools for molecular modeling.

Main Results:

  • The AutoDock suite provides a versatile platform for various drug design tasks.
  • Specialized tools enable the study of complex systems previously difficult to model.
  • The free availability of the software promotes widespread adoption and community development.

Conclusions:

  • The AutoDock suite is a powerful, freely accessible resource for computational drug design and development.
  • Its comprehensive features and community support accelerate research in molecular modeling and drug discovery.
  • Continued development and community contributions ensure its relevance for future challenges in pharmacology.