ArticleNucleic acids research2015
MTiOpenScreen: a web server for structure-based virtual screening.
Article in Nucleic acids research, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 137 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
137 citing papers in PubMed, 281 citations in OpenAlex.
- Anti-HIV Potential ofViruses · 2026Article
- TAB2 Causes Neuronal Damage by Aggravating Microglia-Mediated Neuroinflammation in Parkinson's Disease.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Integrative computational and experimental identification of marine bacterial acetylcholinesterase inhibitors against alzheimer's disease.Molecular diversity · 2026Article
- DOCKweb: a web-based GUI platform for molecular modeling with DOCK6.Journal of computer-aided molecular design · 2026Article
- In silico analysis of gene expression signatures and drug repurposing associated with metastatic progression in melanoma (skin cancer).Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Virtual screening and molecular dynamics analysis of Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) inhibitors targeting pyrimidine biosynthesis pathway.Folia microbiologica · 2026Article
- Multi-scale computational analysis of monoacylglycerol lipase inhibition as a new therapeutic strategy for hepatocellular carcinoma.Scientific reports · 2026Article
- Biochemical Mechanisms of Phosphodiesterase 6D Inhibition in K-Ras-Driven Cancers.Applied biochemistry and biotechnology · 2026Article
- Quantum chemical optimization and residue-specific stabilization of CDK20 inhibitors in hepatocellular carcinoma.Molecular diversity · 2026Article
- Drug repurposing for glucosyltransferase inhibition for targeted oral biofilm disruption.NPJ biofilms and microbiomes · 2026Article
- Exploring human GABA transporter 3 binders for epilepsy through quantum reactivity analysis, molecular dynamics, machine learning prediction, and network pharmacology.Journal of molecular modeling · 2026Article
- Investigation of chitinase B1 inhibitors targeting the cell wall biosynthetic machinery in Aspergillus fumigatus through integrated molecular dynamics and QM/MM.Folia microbiologica · 2026Article
- Open-Source Molecular Docking and AI-Augmented Structure-Based Drug Design: Current Workflows, Challenges, and Opportunities.International journal of molecular sciences · 2026Review
- Structure-based design of Mycobacterium tuberculosis PptT-ACP complex inhibitors using derivative design and machine learning.Folia microbiologica · 2026Article
- Identifying antivirals against influenza PA endonuclease with machine learning-based activity prediction, DFT optimization, and molecular dynamics simulation.Molecular diversity · 2026Article
- Mapping the inhibition landscape of P-glycoprotein via conformational ensemble docking.Scientific reports · 2026Article
- Structure-based discovery of Plasmodium falciparum DPAP-1 inhibitor and its experimental validation as an antimalarial agent.Folia microbiologica · 2026Article
- Computational identification and mechanistic characterization of natural product binders targeting the PDE6D prenyl binding tunnel.Scientific reports · 2026Article
- Advancing the modernization of traditional Chinese medicine through artificial intelligence and multimodal data integration.Chinese medicine · 2026Review
- Structure-based and machine learning-assisted identification of natural phytochemicals targeting Mycobacterium leprae InhA for anti-mycobacterial therapeutics.Folia microbiologica · 2026Article
77 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
9 authors at 4 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Open screening endeavors play and will play a key role to facilitate the identification of new bioactive compounds in order to foster innovation and to improve the effectiveness of chemical biology and drug discovery processes. In this line, we developed the new web server MTiOpenScreen dedicated to small molecule docking and virtual screening. It includes two services, MTiAutoDock and MTiOpenScreen, allowing performing docking into a user-defined binding site or blind docking using AutoDock 4.2 and automated virtual screening with AutoDock Vina. MTiOpenScreen provides valuable starting collections for screening, two in-house prepared drug-like chemical libraries containing 150 000 PubChem compounds: the Diverse-lib containing diverse molecules and the iPPI-lib enriched in molecules likely to inhibit protein-protein interactions. In addition, MTiOpenScreen offers users the possibility to screen up to 5000 small molecules selected outside our two libraries. The predicted binding poses and energies of up to 1000 top ranked ligands can be downloaded. In this way, MTiOpenScreen enables researchers to apply virtual screening using different chemical libraries on traditional or more challenging protein targets such as protein-protein interactions. The MTiOpenScreen web server is free and open to all users at http://bioserv.rpbs.univ-paris-diderot.fr/services/MTiOpenScreen/.
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.