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

Statistical Software for Data Analysis and Clinical Trials01:12

Statistical Software for Data Analysis and Clinical Trials

Statistical software is pivotal in data analysis and clinical trials by providing tools to analyze data, draw conclusions, and make predictions. These software packages range from simple data management applications to complex analytical platforms, supporting various statistical tests, models, and simulation techniques. Their significance lies in their ability to handle vast amounts of data with precision and efficiency, enabling researchers to validate hypotheses, identify trends, and make...
Integrated Healthcare System01:20

Integrated Healthcare System

An integrated healthcare system (IHS) is a set of organizations that provides for or arranges to provide coordinated and continuous service to a defined population. The IHS takes responsibility for that particular population's health status and outcome, both clinically and fiscally. An integrated healthcare system is a well-organized, well-coordinated, and collaborative network. The integrated delivery system is a network that connects different healthcare providers to deliver organized,...
Automated Microbial Diagnostics01:24

Automated Microbial Diagnostics

Automated diagnostic analyzers have transformed clinical microbiology by providing rapid and reliable methods for pathogen identification and antibiotic susceptibility testing. Among these systems, the Vitek 2 is widely used because it automates the traditionally labor-intensive processes of microbial identification (ID) and antibiotic susceptibility testing (AST), delivering standardized and timely results that are essential for effective patient care.Microbial Identification with ID CardsThe...
Nursing Clinical Information System01:27

Nursing Clinical Information System

Nursing Clinical Information System (NCIS)
A Nursing Clinical Information System (NCIS) is a specialized type of healthcare information system tailored to meet the unique needs of nursing practice. It incorporates the principles of nursing informatics to streamline information management and improve the quality of care delivery.
Critical attributes of NCIS include:
Drug Discovery: Overview01:26

Drug Discovery: Overview

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...
Pharmacovigilance01:19

Pharmacovigilance

Post-marketing surveillance is a critical component of pharmaceutical regulation, often uncovering unanticipated adverse drug reactions (ADRs) once a drug is widely used over an extended period.
This process, termed pharmacovigilance, aims to detect, evaluate, and minimize harmful effects related to medication use. The data collection for pharmacovigilance depends on spontaneous reporting systems, where healthcare professionals or patients voluntarily report suspected ADRs.
In some cases, there...

You might also read

Related Articles

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

Sort by
Same author

Targeted PET Imaging of Atherosclerosis via Low-Density Lipoprotein Click Chemistry with Nanoparticles.

Chemical & biomedical imaging·2026
Same author

Variant-dependent pharmacological rescue of phenylalanine hydroxylase supports a precision therapeutic strategy for phenylketonuria.

Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie·2026
Same author

A quantitative metabolic signature of host response during SARS-CoV-2 infection and recovery.

iScience·2026
Same author

A single-step radiolabeling strategy for PET, SPECT, and therapeutic radionuclides using nanoparticles as a universal chelator.

Npj imaging·2026
Same author

Target product profile for the development of pediatric formulations of new drugs for the treatment of children with T. cruzi infection.

PLoS neglected tropical diseases·2026
Same author

miR‑205: A dual regulator of angiogenesis in health and disease (Review).

International journal of molecular medicine·2026
Same journal

Integrating evolutionary and compositional features with ML and DL for robust and interpretable druggable protein prediction.

Journal of computer-aided molecular design·2026
Same journal

QUAD: a composite risk framework integrating uncertainty, applicability domain, and model disagreement for reliable QSAR predictions.

Journal of computer-aided molecular design·2026
Same journal

Comparative quantum-chemical investigation of 2-chloro-N-(4-methoxyphenyl)acetamide and 2-(4-methoxyphenylamino)-2-oxoethyl meth/acrylate: DFT, TD-DFT, and non-covalent interaction analyses.

Journal of computer-aided molecular design·2026
Same journal

Discovery of a novel CaMKⅡα inhibitor by machine learning, molecular docking and molecular dynamics simulation.

Journal of computer-aided molecular design·2026
Same journal

Explainable QSAR models of 5-HT1A receptor ligands using conceptual DFT descriptors and no-code machine learning tools.

Journal of computer-aided molecular design·2026
Same journal

Computational investigation of antioxidant activities and mechanisms of catechol analogues through a DFT study.

Journal of computer-aided molecular design·2026
See all related articles

Related Experiment Video

Updated: Jun 28, 2026

Rapid Screening of HIV Reverse Transcriptase and Integrase Inhibitors
05:46

Rapid Screening of HIV Reverse Transcriptase and Integrase Inhibitors

Published on: April 9, 2014

VSDMIP: virtual screening data management on an integrated platform.

Rubén Gil-Redondo1, Jorge Estrada, Antonio Morreale

  • 1Unidad De Bioinformática, Centro De Biología Molecular Severo Ochoa (CSIC-UAM), C/Nicolás Cabrera 1, Campus De Cantoblanco, Madrid 28049, Spain.

Journal of Computer-Aided Molecular Design
|October 23, 2008
PubMed
Summary
This summary is machine-generated.

A new software, VSDMIP, enhances virtual screening (VS) by storing all results and allowing customizable workflows. This tool facilitates comparison of different VS methods for drug discovery.

Related Experiment Videos

Last Updated: Jun 28, 2026

Rapid Screening of HIV Reverse Transcriptase and Integrase Inhibitors
05:46

Rapid Screening of HIV Reverse Transcriptase and Integrase Inhibitors

Published on: April 9, 2014

Area of Science:

  • Computational chemistry
  • cheminformatics
  • Drug discovery

Background:

  • Virtual screening (VS) is crucial for identifying potential drug candidates from large chemical libraries.
  • Existing VS tools often lack integrated data storage and workflow customization, hindering method comparison and result analysis.

Purpose of the Study:

  • To introduce VSDMIP, a novel software for virtual screening integrated with a MySQL database.
  • To highlight VSDMIP's unique features: comprehensive result storage and a modular, customizable architecture.
  • To enable efficient storage, retrieval, and comparison of VS results and methodologies.

Main Methods:

  • VSDMIP utilizes a MySQL relational database to store ligand data and all intermediate VS results.
  • Its modular architecture allows customization of VS stages (conformer generation, docking) via XML-defined workflows.
  • Experiments were conducted on six protein targets using nine binary test sets to validate VSDMIP's performance.

Main Results:

  • VSDMIP successfully facilitated the storage and retrieval of VS results.
  • The software's adaptability allowed for the evaluation of various VS configurations.
  • Performance metrics like enrichment factors and receiver operating characteristic plots were used to assess different VS strategies.

Conclusions:

  • VSDMIP provides a robust platform for automated virtual screening.
  • Its design supports the comparison of diverse VS methodologies, aiding in the optimization of drug discovery pipelines.
  • The software enhances the efficiency and reproducibility of computational drug discovery efforts.