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,
click here.
| Year | Major Topic | Minor Topic | Total |
|---|
| 2013 | 0 | 6 | 6 |
| 2014 | 1 | 6 | 7 |
| 2015 | 0 | 2 | 2 |
| 2016 | 0 | 6 | 6 |
| 2017 | 19 | 88 | 107 |
| 2018 | 20 | 76 | 96 |
| 2019 | 12 | 42 | 54 |
| 2020 | 6 | 66 | 72 |
| 2021 | 3 | 69 | 72 |
| 2022 | 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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Cordycepin as a Promising Inhibitor of SARS-CoV-2 RNA Dependent RNA Polymerase (RdRp). Curr Med Chem. 2022; 29(1):152-162.
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Uncovering antiobesity-related hypertension targets and mechanisms of metformin, an antidiabetic medication. Bioengineered. 2021 12; 12(1):4757-4767.
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Interactions of Ozone-Functionalized Activated Charcoal with SARS-Cov-2 Proteases Using Molecular Docking and Dynamics. J Nanosci Nanotechnol. 2021 12 01; 21(12):6060-6072.
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Tracking the pipeline: immunoinformatics and the COVID-19 vaccine design. Brief Bioinform. 2021 11 05; 22(6).
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Zinc thiotropolone combinations as inhibitors of the SARS-CoV-2 main protease. Dalton Trans. 2021 Sep 14; 50(35):12226-12233.
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Inhibitor potency and assay conditions: A case study on SARS-CoV-2 main protease. Proc Natl Acad Sci U S A. 2021 09 07; 118(36).
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New Pyrazine Conjugates: Synthesis, Computational Studies, and Antiviral Properties against SARS-CoV-2. ChemMedChem. 2021 11 19; 16(22):3418-3427.
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Binding of Chloroquine to Whey Protein Relieves Its Cytotoxicity while Enhancing Its Uptake by Cells. J Agric Food Chem. 2021 Sep 15; 69(36):10669-10677.
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In silico study of some selective phytochemicals against a hypothetical SARS-CoV-2 spike RBD using molecular docking tools. Comput Biol Med. 2021 10; 137:104818.
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Binding of boswellic acids to functional proteins of the SARS-CoV-2 virus: Bioinformatic studies. Arch Pharm (Weinheim). 2021 Nov; 354(11):e2100160.