ReviewBriefings in bioinformatics2016
Building a virtual ligand screening pipeline using free software: a survey.
Review in Briefings in bioinformatics, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 27 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
27 citing papers in PubMed.
- In silico prospection of receptors associated with the biological activity of U1-SCTRX-lg1a: an antimicrobial peptide isolated from the venom ofIn silico pharmacology · 2024Article
- Introducing the Automated Ligand Searcher.Journal of chemical information and modeling · 2023Article
- A novel in silico scaffold-hopping method for drug repositioning in rare and intractable diseases.Scientific reports · 2023Article
- Identification of novel inhibitors of S-adenosyl-L-homocysteine hydrolase via structure-based virtual screening and molecular dynamics simulations.Journal of molecular modeling · 2022Article
- Binding site identification of G protein-coupled receptors through a 3D Zernike polynomials-based method: application to C. elegans olfactory receptors.Journal of computer-aided molecular design · 2022Article
- An Overview of Antiviral Peptides and Rational Biodesign Considerations.Biodesign research · 2022Review
- Personalized Liver Cancer Risk Prediction Using Big Data Analytics Techniques with Image Processing Segmentation.Computational intelligence and neuroscience · 2022Article
- Screening S protein - ACE2 blockers from natural products: Strategies and advances in the discovery of potential inhibitors of COVID-19.European journal of medicinal chemistry · 2021Review
- Comprehensive virtual screening of 4.8 k flavonoids reveals novel insights into allosteric inhibition of SARS-CoV-2 MScientific reports · 2021Article
- Network bioinformatics analysis provides insight into drug repurposing for COVID-19.Medicine in drug discovery · 2021Article
- The Advent of Generative Chemistry.ACS medicinal chemistry letters · 2020Article
- Plectrabarbene, a New Abietane Diterpene fromMolecules (Basel, Switzerland) · 2020Article
- Molecular Functionality of Plant Proteins from Low- to High-Solid Systems with Ligand and Co-Solute.International journal of molecular sciences · 2020Review
- Unraveling Plant Natural Chemical Diversity for Drug Discovery Purposes.Frontiers in pharmacology · 2020Review
- Mono-Alkylated Ligands Based on Pyrazole and Triazole Derivatives Tested AgainstFrontiers in chemistry · 2020Article
- Recent applications of deep learning and machine intelligence on in silico drug discovery: methods, tools and databases.Briefings in bioinformatics · 2019Review
- Application of the SwissDrugDesign Online Resources in Virtual Screening.International journal of molecular sciences · 2019Review
- Discovery of an intrasubunit nicotinic acetylcholine receptor-binding site for the positive allosteric modulator Br-PBTC.The Journal of biological chemistry · 2019Article
- Accelerating Drug Discovery by Early Protein Drug Target Prediction Based on a Multi-Fingerprint Similarity Search.Molecules (Basel, Switzerland) · 2019Article
- Development and Testing of Druglike Screening Libraries.Journal of chemical information and modeling · 2019Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
1 author.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Virtual screening, the search for bioactive compounds via computational methods, provides a wide range of opportunities to speed up drug development and reduce the associated risks and costs. While virtual screening is already a standard practice in pharmaceutical companies, its applications in preclinical academic research still remain under-exploited, in spite of an increasing availability of dedicated free databases and software tools. In this survey, an overview of recent developments in this field is presented, focusing on free software and data repositories for screening as alternatives to their commercial counterparts, and outlining how available resources can be interlinked into a comprehensive virtual screening pipeline using typical academic computing facilities. Finally, to facilitate the set-up of corresponding pipelines, a downloadable software system is provided, using platform virtualization to integrate pre-installed screening tools and scripts for reproducible application across different operating systems.
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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.