ReviewInternational journal of molecular sciences2019
Key Topics in Molecular Docking for Drug Design.
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 198 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
198 citing papers in PubMed.
- Kaempferol activity onPharmaceutical biology · 2026Article
- AI-Driven Synthesis in Medicinal Chemistry: Integrating Large Language Models, Robotic Automation, and Sustainability Metrics to Accelerate Drug Discovery.Medicinal research reviews · 2026Review
- Differential response of HER2 - and HER2 + breast cancer cells to quinazoline and triazole derivatives: advancing receptor subtype-specific phytochemical targeting.Molecular diversity · 2026Article
- Extending MMPBSA for membrane proteins: Addressing P2YBiophysical journal · 2026Article
- Selection of Novel DNA Aptamers against HPV16 Biomarker, E6: AnACS omega · 2026Article
- Apiol-Rich and Caryophyllene-Oxygenated Essential Oils from AmazonianMolecules (Basel, Switzerland) · 2026Article
- β-Cyclodextrin-chitosan based carriers enhance the solubility and dissolution of baicalein through inclusion complex formation.Scientific reports · 2026Article
- Gallic Acid-Mediated Enhancement of Diazepam-Induced Sedation via GABAFood science & nutrition · 2026Article
- In silico receptor binding and ex vivo nasal epithelial membrane permeation studies of selected phytocannabinoids.Journal of cannabis research · 2026Article
- Piperazine-Thiourea Hybrids as Novel Antiplatelet Agents Targeting COX-1: Synthesis,ACS omega · 2026Article
- Article
- Discovery of potential RSV fusion protein inhibitors from benzimidazole derivatives using QSAR, molecular docking, and ADMET evaluation methods.Molecular diversity · 2026Article
- AI-driven drug-target interaction prediction: current progress, challenges, and future roadmap for precision medicine.Journal of computer-aided molecular design · 2026Review
- Multidrug-ResistantMicroorganisms · 2026Article
- Identification of Enhanced Cyclooxygenase-2 (COX-2) Inhibitors Beyond Curcumin Through Virtual Screening to Target Inflammation-Related Metabolic Complications.International journal of molecular sciences · 2026Article
- Linalool exerts antiemetic effects via dopaminergic and serotonergic pathways: Evidence from chick model and molecular docking.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Deciphering the multifarious biomedicinal properties of marine-derived Streptomyces kunmingensis through In vitro, In silico and GC-MS-based metabolomic approaches.Brazilian journal of microbiology : [publication of the Brazilian Society for Microbiology] · 2026Article
- Molecular docking in histological biomarker discovery and disease modeling: techniques, validation, and translational perspectives.Journal of molecular histology · 2026Review
- Article
- Therapeutic Antitoxoplasmosis Potential ofJournal of tropical medicine · 2026Article
138 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
4 authors.
Funding
Abstract
Molecular docking has been widely employed as a fast and inexpensive technique in the past decades, both in academic and industrial settings. Although this discipline has now had enough time to consolidate, many aspects remain challenging and there is still not a straightforward and accurate route to readily pinpoint true ligands among a set of molecules, nor to identify with precision the correct ligand conformation within the binding pocket of a given target molecule. Nevertheless, new approaches continue to be developed and the volume of published works grows at a rapid pace. In this review, we present an overview of the method and attempt to summarise recent developments regarding four main aspects of molecular docking approaches: (i) the available benchmarking sets, highlighting their advantages and caveats, (ii) the advances in consensus methods, (iii) recent algorithms and applications using fragment-based approaches, and (iv) the use of machine learning algorithms in molecular docking. These recent developments incrementally contribute to an increase in accuracy and are expected, given time, and together with advances in computing power and hardware capability, to eventually accomplish the full potential of this area.
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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.