Molecular Docking Simulation
"Molecular Docking Simulation" is a descriptor in the National Library of Medicine's controlled vocabulary thesaurus,
MeSH (Medical Subject Headings). Descriptors are arranged in a hierarchical structure,
which enables searching at various levels of specificity.
A computer simulation technique that is used to model the interaction between two molecules. Typically the docking simulation measures the interactions of a small molecule or ligand with a part of a larger molecule such as a protein.
| Descriptor ID |
D062105
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| MeSH Number(s) |
E05.599.595.249 L01.224.160.249
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| Concept/Terms |
Molecular Docking Simulation- Molecular Docking Simulation
- Docking Simulation, Molecular
- Docking Simulations, Molecular
- Simulation, Molecular Docking
- Simulations, Molecular Docking
- Molecular Docking Simulations
Molecular Docking Analysis- Molecular Docking Analysis
- Analyses, Molecular Docking
- Analysis, Molecular Docking
- Docking Analyses, Molecular
- Docking Analysis, Molecular
- Molecular Docking Analyses
|
Below are MeSH descriptors whose meaning is more general than "Molecular Docking Simulation".
Below are MeSH descriptors whose meaning is more specific than "Molecular Docking Simulation".
This graph shows the total number of publications written about "Molecular Docking Simulation" by people in this website by year, and whether "Molecular Docking Simulation" was a major or minor topic of these publications.
To see the data from this visualization as text,
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| Year | Major Topic | Minor Topic | Total |
|---|
| 2012 | 0 | 1 | 1 |
| 2013 | 1 | 0 | 1 |
| 2014 | 0 | 1 | 1 |
| 2016 | 0 | 1 | 1 |
| 2017 | 0 | 1 | 1 |
| 2018 | 1 | 3 | 4 |
| 2019 | 0 | 1 | 1 |
| 2020 | 0 | 5 | 5 |
| 2021 | 0 | 5 | 5 |
| 2023 | 0 | 3 | 3 |
| 2024 | 1 | 0 | 1 |
| 2025 | 0 | 1 | 1 |
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Below are the most recent publications written about "Molecular Docking Simulation" by people in Profiles.
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Vitexin enhances mitophagy and improves renal ischemia-reperfusion injury by regulating the p38/MAPK pathway. Ren Fail. 2025 Dec; 47(1):2463572.
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Identification and molecular mechanism of novel hypoglycemic peptide in ripened pu-erh tea: Molecular docking, dynamic simulation, and cell experiments. Food Res Int. 2024 Oct; 194:114930.
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Activation of Munc13-1 by Diacylglycerol (DAG)-Lactones. Biochemistry. 2023 09 19; 62(18):2717-2726.
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Putative interactions between transthyretin and endosulfan II and its relevance in breast cancer. Int J Biol Macromol. 2023 Apr 30; 235:123670.
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Comparison of the ligand binding site of C1 domains: a molecular dynamics simulation study of the C1 domain-phorbol 13-acetate-membrane system. J Biomol Struct Dyn. 2023; 41(21):11796-11809.
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Antioxidant and food additive BHA prevents TNF cytotoxicity by acting as a direct RIPK1 inhibitor. Cell Death Dis. 2021 07 14; 12(7):699.
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Modulation of proteasome activity by curcumin and didemethylcurcumin. J Biomol Struct Dyn. 2022 11; 40(18):8332-8339.
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Probing the Diacylglycerol Binding Site of Presynaptic Munc13-1. Biochemistry. 2021 Apr 27; 60(16):1286-1298.
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Design of pyrido[2,3-d]pyrimidin-7-one inhibitors of receptor interacting protein kinase-2 (RIPK2) and nucleotide-binding oligomerization domain (NOD) cell signaling. Eur J Med Chem. 2021 Apr 05; 215:113252.
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Antibody mix-and-read assays based on fluorescence intensity probes. MAbs. 2021 Jan-Dec; 13(1):1980178.