ArticleData in brief2019
Data of small peptides in SMILES and three-dimensional formats for virtual screening campaigns.
Article in Data in brief, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
What it found
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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.
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Who cites it
12 citing papers in PubMed.
- Druggability assessments of small peptides as protein-protein interaction inhibitors targeting EED-EZH2 binding within the Polycomb Repressive Complex 2 (PRC2), an epigenetic regulator.Molecular diversity · 2026Article
- Computational study on QSAR modeling, molecular docking, and ADMET profiling of pyrazole-modified catalpol derivatives as prospective dual inhibitors of VEGFR-2/BRAF V600E.Journal of computer-aided molecular design · 2025Article
- In silico pentapeptide design for the inhibition between S100 calcium-binding A9 (S100A9) proteins.Journal of molecular modeling · 2025Article
- NRGSuite-Qt: a PyMOL plugin for high-throughput virtual screening, molecular docking, normal-mode analysis, the study of molecular interactions, and the detection of binding-site similarities.Bioinformatics advances · 2025Article
- Novel Tripeptides as Tyrosinase Inhibitors: In Silico and In Vitro Approaches.International journal of molecular sciences · 2024Article
- Virtual Screening of Peptide Libraries: The Search for Peptide-Based Therapeutics Using Computational Tools.International journal of molecular sciences · 2024Review
- Dock-able linear and homodetic di, tri, tetra and pentapeptide library from canonical amino acids: SARS-CoV-2 Mpro as a case study.Journal of pharmaceutical analysis · 2023Article
- Bioactive Peptide Discovery from Edible Insects for Potential Applications in Human Health and Agriculture.Molecules (Basel, Switzerland) · 2023Review
- PyPLIF HIPPOS and Receptor Ensemble Docking Increase the Prediction Accuracy of the Structure-Based Virtual Screening Protocol Targeting Acetylcholinesterase.Molecules (Basel, Switzerland) · 2022Article
- Seafood Paramyosins as Sources of Anti-Angiotensin-Converting-Enzyme and Anti-Dipeptidyl-Peptidase Peptides after Gastrointestinal Digestion: A Cheminformatic Investigation.Molecules (Basel, Switzerland) · 2022Article
- A new ChEMBL dataset for the similarity-based target fishing engine FastTargetPred: Annotation of an exhaustive list of linear tetrapeptides.Data in brief · 2022Article
- Discovery of compounds with viscosity-reducing effects on biopharmaceutical formulations with monoclonal antibodies.Computational and structural biotechnology journal · 2022Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The data presented in this article are structures of dipeptides, tripeptides and tetrapeptides constructed from all possible combinations of 20 natural and common amino acids. In total, the data contains 168400 peptides. The structures are available in their simplified molecular-input line-entry system (SMILES) and three-dimensional (3D) formats. The type of data are text files, which could be accessed and modified either by text editor applications (
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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.