ReviewInternational journal of molecular sciences2019
The Light and Dark Sides of Virtual Screening: What Is There to Know?
Review in International journal of molecular sciences, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 116 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
116 citing papers in PubMed.
- Discovery of novel and highly potent XIAP-targeted peptide inhibitors using virtual screening.Journal of enzyme inhibition and medicinal chemistry · 2026Article
- PCA-mapping and machine learning identify multiple chemotypes with antiplasmodial, β-haematin and haemozoin formation inhibition activity.RSC medicinal chemistry · 2026Article
- Cyclic Peptides as Modulators of Protein-Protein Interactions: A Survival Guide from Discovery Platforms to AI-Driven Design.International journal of molecular sciences · 2026Review
- A Leakage-Aware Drug Discovery Workflow for PKM2 and MAPK1 Integrating Scaffold Validation, Molecular Docking and Structural Triage.International journal of molecular sciences · 2026Article
- Enhanced Anti-Atherogenic Effects of Epicatechin and Hydroxytyrosol in THP-1 Macrophages: An Integrated In Silico and In Vitro Study.International journal of molecular sciences · 2026Article
- Article
- Virtual screening of compounds for the development of thyroid hormone analogues for potential application in cardiac regeneration.Journal of computer-aided molecular design · 2026Article
- Therapeutic monoclonal antibodies repurposing in oncology via IMGT/mAb-KG embeddings.BMC medical informatics and decision making · 2026Article
- Bioinformatics-Driven, Plant-Based Antibiotic Research Against Quorum Sensing and Biofilm Formation inBiomolecules · 2026Review
- Article
- Review
- Identification and Characterization of ERK2 Dimerization Inhibitors by Integrated In Silico and In Vitro Screening.International journal of molecular sciences · 2025Article
- Discovery of Sesamolin as a Potential Anti-ACS omega · 2025Article
- Structure-based identification of novel FAK1 inhibitors using pharmacophore modeling, molecular dynamics, and MM/PBSA calculations.Scientific reports · 2025Article
- The covalent docking software landscape: features and applications in drug design.Briefings in bioinformatics · 2025Review
- Structure-guided discovery of Otopetrin 1 inhibitors reveals druggable binding sites at the intrasubunit interface.Nature communications · 2025Article
- Unveiling molecular moieties through hierarchical Grad-CAM graph explainability.BMC bioinformatics · 2025Article
- Beyond rigid docking: deep learning approaches for fully flexible protein-ligand interactions.Briefings in bioinformatics · 2025Review
- Computational drug repurposing: approaches, evaluation of in silico resources and case studies.Nature reviews. Drug discovery · 2025Review
- Target Engagement Assays in Early Drug Discovery.Journal of medicinal chemistry · 2025Review
56 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
8 authors.
Funding
Abstract
Virtual screening consists of using computational tools to predict potentially bioactive compounds from files containing large libraries of small molecules. Virtual screening is becoming increasingly popular in the field of drug discovery as in silico techniques are continuously being developed, improved, and made available. As most of these techniques are easy to use, both private and public organizations apply virtual screening methodologies to save resources in the laboratory. However, it is often the case that the techniques implemented in virtual screening workflows are restricted to those that the research team knows. Moreover, although the software is often easy to use, each methodology has a series of drawbacks that should be avoided so that false results or artifacts are not produced. Here, we review the most common methodologies used in virtual screening workflows in order to both introduce the inexperienced researcher to new methodologies and advise the experienced researcher on how to prevent common mistakes and the improper usage of virtual screening methodologies.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.