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.
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| Year | Major Topic | Minor Topic | Total |
|---|
| 2012 | 0 | 2 | 2 |
| 2013 | 1 | 4 | 5 |
| 2014 | 0 | 1 | 1 |
| 2015 | 2 | 5 | 7 |
| 2016 | 2 | 7 | 9 |
| 2017 | 2 | 7 | 9 |
| 2018 | 2 | 7 | 9 |
| 2019 | 0 | 7 | 7 |
| 2020 | 3 | 20 | 23 |
| 2021 | 2 | 20 | 22 |
| 2022 | 0 | 14 | 14 |
| 2023 | 2 | 15 | 17 |
| 2024 | 3 | 4 | 7 |
| 2025 | 0 | 9 | 9 |
| 2026 | 1 | 3 | 4 |
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Below are the most recent publications written about "Molecular Docking Simulation" by people in Profiles.
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Crystal structure of Trichinella spiralis calreticulin and the structural basis of its complement evasion mechanism involving C1q. Front Immunol. 2024; 15:1404752.
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A small-molecule inhibitor of TopBP1 exerts anti-MYC activity and synergy with PARP inhibitors. Proc Natl Acad Sci U S A. 2023 10 31; 120(44):e2307793120.
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Exome sequence analysis of rare frequency variants in Late-Onset Alzheimer Disease. Metab Brain Dis. 2023 08; 38(6):2025-2036.
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Controlling cell proliferation by targeting cyclin-dependent kinase 6 using drug repurposing approach. Adv Protein Chem Struct Biol. 2023; 135:97-124.
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Multispectroscopic, virtual and in vivo insights into the photoaging defense mediated by the natural food colorant bixin. Food Funct. 2023 Jan 03; 14(1):319-334.
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An integrated investigation of structural and pathway alteration caused by PIK3CA and TP53 mutations identified in cfDNA of metastatic breast cancer. J Cell Biochem. 2023 02; 124(2):188-204.
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Deciphering the effect of mutations in MMAA protein causing methylmalonic acidemia-A computational approach. Adv Protein Chem Struct Biol. 2022; 132:199-220.
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Identification of potential inhibitors, conformational dynamics, and mechanistic insights into mutant Kirsten rat sarcoma virus (G13D) driven cancers. J Cell Biochem. 2022 09; 123(9):1467-1480.
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Understanding the activating mechanism of the immune system against COVID-19 by Traditional Indian Medicine: Network pharmacology approach. Adv Protein Chem Struct Biol. 2022; 129:275-379.
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Comparison of potential inhibitors and targeting fat mass and obesity-associated protein causing diabesity through docking and molecular dynamics strategies. J Cell Biochem. 2021 11; 122(11):1625-1638.