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
|
| MeSH Number(s) |
E05.599.595.249 L01.224.160.249
|
| 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 |
|---|
| 2012 | 0 | 2 | 2 |
| 2013 | 0 | 4 | 4 |
| 2014 | 0 | 2 | 2 |
| 2015 | 2 | 4 | 6 |
| 2016 | 2 | 5 | 7 |
| 2017 | 1 | 4 | 5 |
| 2018 | 3 | 6 | 9 |
| 2019 | 0 | 6 | 6 |
| 2020 | 1 | 16 | 17 |
| 2021 | 1 | 15 | 16 |
| 2022 | 0 | 12 | 12 |
| 2023 | 1 | 10 | 11 |
| 2024 | 1 | 2 | 3 |
To return to the timeline,
click here.
Below are the most recent publications written about "Molecular Docking Simulation" by people in Profiles.
-
Novel benzothiazole/benzothiazole thiazolidine-2,4-dione derivatives as potential FOXM1 inhibitors: In silico, synthesis, and in vitro studies. Arch Pharm (Weinheim). 2024 Dec; 357(12):e2400504.
-
Enolase inhibitors as therapeutic leads for Naegleria fowleri infection. PLoS Pathog. 2024 Aug; 20(8):e1012412.
-
A drug repurposing study identifies novel FOXM1 inhibitors with in vitro activity against breast cancer cells. Med Oncol. 2024 Jun 25; 41(8):188.
-
Glycyrrhizic acid conjugates with amino acid methyl esters target the main protease, exhibiting antiviral activity against wild-type and nirmatrelvir-resistant SARS-CoV-2 variants. Antiviral Res. 2024 07; 227:105920.
-
Epigallocatechin gallate regulates the myeloid-specific transcription factor PU.1 in macrophages. PLoS One. 2024; 19(4):e0301904.
-
Crystal structure of Trichinella spiralis calreticulin and the structural basis of its complement evasion mechanism involving C1q. Front Immunol. 2024; 15:1404752.
-
Multitarget action of Benzothiazole-piperazine small hybrid molecule against Alzheimer's disease: In silico, In vitro, and In vivo investigation. Biomed Pharmacother. 2024 May; 174:116484.
-
Generation of a highly specific recombinant full-length antibody for detecting ethirimol in fruit and environmental water. J Hazard Mater. 2024 05 05; 469:134067.
-
Rational Design of TDP-43 Derived a-Helical Peptide Inhibitors: An In Silico Strategy to Prevent TDP-43 Aggregation in Neurodegenerative Disorders. ACS Chem Neurosci. 2024 03 20; 15(6):1096-1109.
-
Research on the Regulatory Mechanism of Ginseng on the Tumor Microenvironment of Colorectal Cancer based on Network Pharmacology and Bioinformatics Validation. Curr Comput Aided Drug Des. 2024; 20(5):486-500.