ReviewBiophysical reviews2014
Receptor-ligand molecular docking.
Review in Biophysical reviews, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 170 papers, 2 of them syntheses that pooled it.
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
170 citing papers in PubMed, 2 syntheses or guidelines pooled it.
- Pooled it
- In Silico Screening of Therapeutic Targets as a Tool to Optimize the Development of Drugs and Nutraceuticals in the Treatment of DiabetesInternational journal of molecular sciences · 2024Pooled it
- Article
- Cryptotanshinone and 15,16-dihydrotanshinone I fromRSC advances · 2026Article
- Deciphering the rules of regulated cell death subroutines by in silico methods.Journal of advanced research · 2026Review
- ADMET-XSpec: A Tool for Systematic Cross-Species Data Integration in ADMET Prediction.Chemical research in toxicology · 2026Article
- MBind: A Web-Based Platform for Metalloprotein and Nonmetalloprotein Docking with Optional ML Docking Integration.Molecules (Basel, Switzerland) · 2026Article
- Triamcinolone Acetonide Produced by Bacillus velezensis YEBBR6 Exerts Antagonistic Activity Against Fusarium oxysporum f. sp. Cubense: A Computational Analysis.Molecular biotechnology · 2026Article
- Computer-Aided Drug Design, Synthesis, and In Vitro Safety Evaluation of Carprofen Analogs for Novel Alzheimer's Disease Therapeutics.ChemMedChem · 2026Article
- From data to scent: validating an ensemble AI model that predicts novel insect odourant interactions.Journal of molecular modeling · 2026Article
- Inhibiting NHEJ: In-Silico Approach to Stratifying DNA-PK Inhibitors, Predicting Radio-Halogenation Potential of DNA-PK Inhibitors, and Assessing AlphaFold2 Prediction Accuracy.Bioengineering (Basel, Switzerland) · 2026Article
- Amphibian-derived peptides as novel therapeutics for skin wound healing: Mechanisms, applications, and challenges.Zoological research · 2026Review
- GC-MS and GC-IMS Comprehensive Analysis of Volatile Compounds in the Peel and Pulp of Six Lemon Varieties and Their Interactions with Olfactory Receptors: Molecular Docking and Molecular Dynamics Simulations Studies.Foods (Basel, Switzerland) · 2026Article
- Feed-Forward Deep Neural Networks Predict Substrate-Specific Effects of Transporter Variants to Explain Drug Response Variability.Clinical and translational science · 2026Article
- Distinct Mechanisms of Acetic Acid Inhibition in Thermophilic GH10 and GH11 Xylanases.Journal of microbiology and biotechnology · 2026Article
- Mosquitocidal Activity and Enzyme Inhibition of Citrus sinensis Essential Oil Against Anopheles gambiae: In Vivo and In Silico Insights.Neotropical entomology · 2026Article
- Integrated QSAR, Molecular Docking, ADMET Profiling, and Antioxidant Evaluation of Substituted Chromone and Aryloxyalkanoic Acid Derivatives as Potential CysLTPharmaceuticals (Basel, Switzerland) · 2026Article
- Article
- GCMS and Molecular Docking Based Insights into the Antifungal Potential of Bacillus Bs-06 Against Fusarium oxysporum f. sp. lycopersici.The protein journal · 2026Article
- Phytochemical and Computational Discovery of Potent Xanthine Oxidase Inhibitors From Ziziphus lotus L. Leaves and Seeds.Chemistry & biodiversity · 2026Article
110 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
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Docking methodology aims to predict the experimental binding modes and affinities of small molecules within the binding site of particular receptor targets and is currently used as a standard computational tool in drug design for lead compound optimisation and in virtual screening studies to find novel biologically active molecules. The basic tools of a docking methodology include a search algorithm and an energy scoring function for generating and evaluating ligand poses. In this review, we present the search algorithms and scoring functions most commonly used in current molecular docking methods that focus on protein-ligand applications. We summarise the main topics and recent computational and methodological advances in protein-ligand docking. Protein flexibility, multiple ligand binding modes and the free-energy landscape profile for binding affinity prediction are important and interconnected challenges to be overcome by further methodological developments in the docking field.
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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.