ReviewInternational journal of molecular sciences2016
Insights into Protein-Ligand Interactions: Mechanisms, Models, and Methods.
Review in International journal of molecular sciences, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 538 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
538 citing papers in PubMed.
- ZBP1 specifically binds pre-formed Z-RNA, limiting its potential pool of nucleic acid ligands compared to ADAR1.Nucleic acids research · 2026Article
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- Molecular binding in supramolecular fibrillar biomolecules.Biophysical journal · 2026Article
- Artificial intelligence and ultra-high performance computing methods and experiments for drug discovery: virtual screening, deep learning, molecular dynamics simulations, ADMET modelling, and experimental validation.Molecular biomedicine · 2026Review
- 4-Ethyl phenyl sulfate binding to human serum albumin.Protein science : a publication of the Protein Society · 2026Article
- NMR Studies on Protein-Ligand Interactions.International journal of molecular sciences · 2026Review
- Mutation-Aware Machine Learning Framework for Predicting Binding Affinity of Nirmatrelvir Analogs Targeting Coronavirus Main Proteases.Molecules (Basel, Switzerland) · 2026Article
- Antioxidant and Antidiabetic Activity of the Bulb Extract ofAntioxidants (Basel, Switzerland) · 2026Article
- Computational Investigation of Cinnamon Phytochemicals Targeting Key Cancer Signaling Pathways: Molecular Docking, ADMET and Molecular Dynamics Simulations Analysis.Current issues in molecular biology · 2026Article
- MBind: A Web-Based Platform for Metalloprotein and Nonmetalloprotein Docking with Optional ML Docking Integration.Molecules (Basel, Switzerland) · 2026Article
- Elucidating the Antiglycation Potential of Plumbagin Against Methylglyoxal-Induced Glycation of Bovine Liver Catalase.Journal of cellular biochemistry · 2026Article
- Unraveling competitive protein interactions: A critical step toward improved production and therapeutics.Journal of advanced research · 2026Review
- Triamcinolone Acetonide Produced by Bacillus velezensis YEBBR6 Exerts Antagonistic Activity Against Fusarium oxysporum f. sp. Cubense: A Computational Analysis.Molecular biotechnology · 2026Article
- Pyrene-linked heterocyclic pyrazoles: Synthesis, antimicrobial screening, and in silico molecular insights.Smart molecules : open access · 2026Article
- Article
- EPIC: A Machine-Learning Framework for Product-Dependent Behavior in β‑Glucosidases.ACS omega · 2026Article
- Global Crotonylome Profiling Identifies TaPRXIIB Crotonylation as a Modulator HMolecular plant pathology · 2026Article
- Protective effects of Tinospora crispa and Tinospora cordifolia extracts against methylglyoxal-induced oxidative stress and apoptosis in hFOB 1.19 cells: ELISA-based evaluation and molecular docking insights with antioxidant enzymes.BMC complementary medicine and therapies · 2026Article
- AI-Driven Discovery of Prototype CLEC4M Inhibitors Targeting Marburg Virus Entry via Integrated Machine Learning and Molecular Modeling.International journal of molecular sciences · 2026Article
- Preserved and Accessible: Quantifying PFAS in Formalin-Fixed and Paraffin-Embedded Tissues for Retrospective Exposure and Dose Assessment.Environmental science & technology · 2026Article
478 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
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Molecular recognition, which is the process of biological macromolecules interacting with each other or various small molecules with a high specificity and affinity to form a specific complex, constitutes the basis of all processes in living organisms. Proteins, an important class of biological macromolecules, realize their functions through binding to themselves or other molecules. A detailed understanding of the protein-ligand interactions is therefore central to understanding biology at the molecular level. Moreover, knowledge of the mechanisms responsible for the protein-ligand recognition and binding will also facilitate the discovery, design, and development of drugs. In the present review, first, the physicochemical mechanisms underlying protein-ligand binding, including the binding kinetics, thermodynamic concepts and relationships, and binding driving forces, are introduced and rationalized. Next, three currently existing protein-ligand binding models--the "lock-and-key", "induced fit", and "conformational selection"--are described and their underlying thermodynamic mechanisms are discussed. Finally, the methods available for investigating protein-ligand binding affinity, including experimental and theoretical/computational approaches, are introduced, and their advantages, disadvantages, and challenges are discussed.
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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.