ArticleJournal of chemical information and modeling2021
FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening.
Article in Journal of chemical information and modeling, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 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
16 citing papers in PubMed, 38 citations in OpenAlex.
- COFFEE-PRESC: A Fast Prescreening Method Using Compound Retrieval by Pairwise Positional Relationship of Representative Fragments.Journal of chemical information and modeling · 2026Article
- Protein language models are performant in structure-free virtual screening.Briefings in bioinformatics · 2024Article
- Antimicrobial activity of compounds identified by artificial intelligence discovery engine targeting enzymes involved in Neisseria gonorrhoeae peptidoglycan metabolism.Biological research · 2024Article
- Utility of the Morgan Fingerprint in Structure-Based Virtual Ligand Screening.The journal of physical chemistry. B · 2024Article
- An ensemble machine learning model generates a focused screening library for the identification of CDK8 inhibitors.Protein science : a publication of the Protein Society · 2024Article
- Correlation of protein binding pocket properties with hits' chemistries used in generation of ultra-large virtual libraries.Journal of computer-aided molecular design · 2024Article
- FRAGSITE2: A structure and fragment-based approach for virtual ligand screening.Protein science : a publication of the Protein Society · 2024Article
- Atovaquone and Pibrentasvir Inhibit the SARS-CoV-2 Endoribonuclease and Restrict Infection In Vitro but Not In Vivo.Viruses · 2023Article
- PrePCI: A structure- and chemical similarity-informed database of predicted protein compound interactions.Protein science : a publication of the Protein Society · 2023Article
- Implications of the Essential Role of Small Molecule Ligand Binding Pockets in Protein-Protein Interactions.The journal of physical chemistry. B · 2022Article
- Protein-Ligand Docking in the Machine-Learning Era.Molecules (Basel, Switzerland) · 2022Review
- Delta Machine Learning to Improve Scoring-Ranking-Screening Performances of Protein-Ligand Scoring Functions.Journal of chemical information and modeling · 2022Review
- Efficient Hit-to-Lead Searching of Kinase Inhibitor Chemical Space via Computational Fragment Merging.Journal of chemical information and modeling · 2021Article
- Unexpected similarity between HIV-1 reverse transcriptase and tumor necrosis factor binding sites revealed by computer vision.Journal of cheminformatics · 2021Article
- AlphaFold 2: Why It Works and Its Implications for Understanding the Relationships of Protein Sequence, Structure, and Function.Journal of chemical information and modeling · 2021Article
- Prediction of severe adverse events, modes of action and drug treatments for COVID-19's complications.Scientific reports · 2021Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors at 1 institution in 1 country.
Funding
Abstract
To reduce time and cost, virtual ligand screening (VLS) often precedes experimental ligand screening in modern drug discovery. Traditionally, high-resolution structure-based docking approaches rely on experimental structures, while ligand-based approaches need known binders to the target protein and only explore their nearby chemical space. In contrast, our structure-based FINDSITE
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.