ReviewAnnual review of biochemistry2024
The Art and Science of Molecular Docking.
Review in Annual review of biochemistry, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 184 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
184 citing papers in PubMed.
- Network toxicology and molecular docking reveal the mechanistic basis of bisphenol A-mediated cholestatic liver injury.Toxicology reports · 2026Article
- α-Mangostin attenuatesVirulence · 2026Article
- Drug-likeness prioritised selection identifies anti-Journal of enzyme inhibition and medicinal chemistry · 2026Article
- Discovery of a novel STING-binding peptide associated with reduced cGAMP-induced inflammatory gene expression.Journal of enzyme inhibition and medicinal chemistry · 2026Article
- Interaction differences between selected sweet-fragrant aroma compounds and different salivary proteins: Effects of molecular structure.Food chemistry: X · 2026Article
- Tannic Acid Inhibits Lung Adenocarcinoma Progression by Suppressing MMP-2-Mediated Epithelial-Mesenchymal Transition.Biochemical genetics · 2026Article
- Astragaloside IV suppresses triple-negative breast cancer cell migration and invasion by targeting BCAT1-mediated branched-chain amino acid metabolism.Oncology letters · 2026Article
- Integrative analysis of cadmium exposure and osteoarthritis: from population evidence to molecular mechanisms.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Integrative Proteome-Wide Mendelian Randomization and Multi-Omics Analysis Identify ADM and CFH as Candidate Genes for Osteoarthritis.Biomedicines · 2026Article
- Article
- Lichen-Derived Bioactive Compounds in Diabetes and Cardiovascular Risk: Experimental Evidence, Mechanisms, and Translational Challenges.Biomedicines · 2026Review
- Docking-based virtual screening: Past, present, and future.Biophysical journal · 2026Review
- Production of Anti-melanogenic Glucosides via Molecular Docking-guided Biotransformation of p-hydroxyphenethyl anisate.Applied biochemistry and biotechnology · 2026Article
- Methods for the establishment of enzymatic mechanisms - from QM to ML.Chemical science · 2026Review
- Shared pathogenic genes and therapeutic targets in periodontitis and systemic juvenile idiopathic arthritis: An integrative bioinformatics and machine learning study.PLoS computational biology · 2026Article
- Structure-Based Screening Identifies Polyphenol Glucuronides as Cyclophilin D Ligands.Molecules (Basel, Switzerland) · 2026Article
- Ultrasound-assisted deep eutectic solvent extraction and macroporous resin enrichment of polyphenols from Cortex Mori: Screening of tyrosinase inhibitors via affinity ultrafiltration-LC-MS and molecular docking.Ultrasonics sonochemistry · 2026Article
- Allosteric Interactions of Flavonoids with ACE2 and Potential Implications for COVID-19: Computational Insights, Metabolic and Mitochondrial Effects of Rutin in A549 Cells.Cell biochemistry and biophysics · 2026Article
- The SlpX protein of Lactobacillus acidophilus CICC6074 has anti-inflammatory properties and protects Caco-2 intestinal epithelial cells from TNF-α-induced barrier damage.Journal of the science of food and agriculture · 2026Article
- Investigating the mechanisms of PhIP-induced colorectal cancer through network toxicology, machine learning, and molecular dynamics simulation.Translational cancer research · 2026Article
124 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
Abstract
Molecular docking has become an essential part of a structural biologist's and medicinal chemist's toolkits. Given a chemical compound and the three-dimensional structure of a molecular target-for example, a protein-docking methods fit the compound into the target, predicting the compound's bound structure and binding energy. Docking can be used to discover novel ligands for a target by screening large virtual compound libraries. Docking can also provide a useful starting point for structure-based ligand optimization or for investigating a ligand's mechanism of action. Advances in computational methods, including both physics-based and machine learning approaches, as well as in complementary experimental techniques, are making docking an even more powerful tool. We review how docking works and how it can drive drug discovery and biological research. We also describe its current limitations and ongoing efforts to overcome them.
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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.