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

Imaging Studies III: Computed Tomography01:27

Imaging Studies III: Computed Tomography

402
DefinitionComputed Tomography (CT) of the genitourinary (GU) tract is a non-invasive imaging modality that utilizes X-rays and computer processing to generate detailed cross-sectional images of the urinary system, encompassing the kidneys, ureters, bladder, and adjacent structures such as the adrenal glands.PurposeCT scans of the GU tract serve several diagnostic and therapeutic purposes, including:Diagnosis of Urinary Tract Diseases: Detects kidney stones, tumors, cysts, and congenital...
402
Imaging Studies III: Gastrointestinal Motility Studies and Virtual Colonoscopy01:26

Imaging Studies III: Gastrointestinal Motility Studies and Virtual Colonoscopy

438
This lesson explores three gastrointestinal imaging techniques: radionuclide testing, colonic transit studies, and virtual colonoscopy.
Radionuclide Testing
Radionuclide testing is a sophisticated medical technique for assessing gastrointestinal motility. It focuses on gastric emptying and colonic transit time. Radioactive markers track the movement of food through the digestive system, providing insights into gastrointestinal disorders.
In gastric emptying studies, a meal's liquid and...
438
Virtual Work01:20

Virtual Work

1.4K
The principle of virtual work states that if a body is in static and dynamic equilibrium, then the sum of all the virtual work done by all external forces and couple moments for any given virtual displacement must be zero.
In static equilibrium, a body can experience an imaginary or virtual movement, such as displacement or rotation. The virtual work done by a force is equal to the dot product of force and virtual displacement in the direction of the force. When it comes to virtually rotating a...
1.4K
Nursing Implementation01:15

Nursing Implementation

6.2K
Implementation is the execution of the nursing care plan developed during the planning phase.
The five steps to implementing effective nursing care include reassessing the patient, reviewing and revising the existing nursing care plan, organizing the resources and care delivery, anticipating and preventing complications, and implementing nursing interventions.
6.2K
Special Staining Techniques01:13

Special Staining Techniques

1.3K
Specialized staining techniques play a vital role in microbiology by enabling the visualization of specific bacterial structures that remain undetectable with standard microscopy methods. These techniques not only enhance the structural visualization of bacterial cells but also provide critical insights into their pathogenicity and classification. Additionally, they support diagnostic and research endeavors in microbiology by identifying key bacterial features.Capsule Staining for Virulence...
1.3K
Introduction to Special Senses01:26

Introduction to Special Senses

7.6K
Sensory receptors play an integral part in comprehending our external and internal environments. They receive diverse stimuli, converting them into the nervous system's electrochemical signals. This conversion occurs as the stimulus alters the sensory neuron's cell membrane potential, instigating the generation of an action potential. This action potential is subsequently transmitted to the central nervous system (CNS), which integrates with other sensory data or higher cognitive...
7.6K

You might also read

Related Articles

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

Sort by
Same author

FAME3R: an efficient, practical and reliable open-source tool for predicting phase 1 and phase 2 sites of metabolism.

Journal of cheminformatics·2026
Same author

PepScorer::RMSD: An Improved Machine Learning Scoring Function for Protein-Peptide Docking.

International journal of molecular sciences·2026
Same author

Meta<sup>QM</sup>: Exploring the Role of QM Calculations in Drug Metabolism Prediction.

International journal of molecular sciences·2025
Same author

Physical exercise increases binding of POMC to blood extracellular vesicles.

Proceedings of the National Academy of Sciences of the United States of America·2025
Same author

PANTHER Score: Protein-Affinity for Nucleic Target-binding, Hybridization, and Energy Regression.

RNA (New York, N.Y.)·2025
Same author

Metabolite Identification Data in Drug Discovery, Part 2: Site-of-Metabolism Annotation, Analysis, and Exploration for Machine Learning.

Molecular pharmaceutics·2025

Related Experiment Video

Updated: Feb 10, 2026

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

1.3K

WarpEngine, a Flexible Platform for Distributed Computing Implemented in the VEGA Program and Specially Targeted for

Alessandro Pedretti1, Angelica Mazzolari1, Giulio Vistoli1

  • 1Dipartimento di Scienze Farmaceutiche, Facoltà di Farmacia , Università degli Studi di Milano , Via Luigi Mangiagalli, 25 , I-20133 Milano , Italy.

Journal of Chemical Information and Modeling
|May 11, 2018
PubMed
Summary

WarpEngine, a new platform in VEGA ZZ, enables efficient distributed simulations for drug discovery. It offers excellent performance and scalability for complex computational tasks.

More Related Videos

Mobile Game-based Virtual Reality Program for Upper Extremity Stroke Rehabilitation
05:52

Mobile Game-based Virtual Reality Program for Upper Extremity Stroke Rehabilitation

Published on: March 8, 2018

19.8K
A Flexible Platform for Monitoring Cerebellum-Dependent Sensory Associative Learning
11:32

A Flexible Platform for Monitoring Cerebellum-Dependent Sensory Associative Learning

Published on: January 19, 2022

3.9K

Related Experiment Videos

Last Updated: Feb 10, 2026

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

1.3K
Mobile Game-based Virtual Reality Program for Upper Extremity Stroke Rehabilitation
05:52

Mobile Game-based Virtual Reality Program for Upper Extremity Stroke Rehabilitation

Published on: March 8, 2018

19.8K
A Flexible Platform for Monitoring Cerebellum-Dependent Sensory Associative Learning
11:32

A Flexible Platform for Monitoring Cerebellum-Dependent Sensory Associative Learning

Published on: January 19, 2022

3.9K

Area of Science:

  • Computational chemistry
  • Cheminformatics
  • Bioinformatics

Background:

  • Distributed computing offers significant speed-up for computationally intensive tasks.
  • Virtual screening requires substantial computational resources, often necessitating parallel processing.
  • Existing platforms may lack flexibility or require code modification for integrating diverse simulation tools.

Purpose of the Study:

  • To introduce WarpEngine, a novel distributed computing platform within the VEGA ZZ software suite.
  • To demonstrate WarpEngine's flexibility in encapsulating various software for distributed simulations without source code alteration.
  • To evaluate the performance and scalability of WarpEngine for structure-based virtual screening campaigns.

Main Methods:

  • Implementation of WarpEngine within the VEGA ZZ software suite.
  • Encapsulation of diverse cheminformatics and simulation tools within the WarpEngine platform.
  • Performance benchmarking using structure-based virtual screening on the ACE dataset (DUD-E) with PLANTS docking application.

Main Results:

  • WarpEngine demonstrated satisfactory linear performance, with speed-up correlating directly with the number of utilized cores.
  • Scalability analyses showed that over 90% of simulations benefited from the distributed platform.
  • The platform efficiently distributes time-demanding simulations, leveraging VEGA ZZ's cheminformatics features and scripting architecture.

Conclusions:

  • WarpEngine provides an efficient and flexible solution for distributed simulations, particularly for virtual screening.
  • The platform exhibits excellent performance and scalability, making it suitable for large-scale computational campaigns.
  • WarpEngine is freely available, promoting wider adoption in computational chemistry and drug discovery research.