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 | 1 | 1 |
| 2013 | 4 | 1 | 5 |
| 2014 | 2 | 0 | 2 |
| 2015 | 2 | 1 | 3 |
| 2016 | 2 | 2 | 4 |
| 2017 | 1 | 5 | 6 |
| 2018 | 1 | 2 | 3 |
| 2019 | 2 | 5 | 7 |
| 2020 | 2 | 6 | 8 |
| 2021 | 1 | 4 | 5 |
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Below are the most recent publications written about "Molecular Docking Simulation" by people in Profiles.
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Dai T, McClements DJ, Hu T, Chen J, He X, Liu C, Sheng J, Sun J. Improving foam performance using colloidal protein-polyphenol complexes: Lactoferrin and tannic acid. Food Chem. 2022 May 30; 377:131950.
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Goel H, Kalra V, Verma SK, Dubey SK, Tiwary AK. Convolutions in the rendition of nose to brain therapeutics from bench to bedside: Feats & fallacies. J Control Release. 2022 01; 341:782-811.
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Verma SK, Verma R, Kumar KSS, Banjare L, Shaik AB, Bhandare RR, Rakesh KP, Rangappa KS. A key review on oxadiazole analogs as potential methicillin-resistant Staphylococcus aureus (MRSA) activity: Structure-activity relationship studies. Eur J Med Chem. 2021 Jul 05; 219:113442.
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Mandavi S, Verma SK, Banjare L, Dubey A, Bhatt R, Thareja S, Jain AK. A Comprehension into Target Binding and Spatial Fingerprints of Noscapinoid Analogues as Inhibitors of Tubulin. Med Chem. 2021; 17(6):611-622.
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Mishra K, Verma SK, Ratre P, Banjare L, Jain A, Thareja S, Jain AK. In Silico Molecular Interaction Studies of Chitosan Polymer with Aromatase Inhibitor: Leads to Letrozole Nanoparticles for the Treatment of Breast Cancer. Anticancer Agents Med Chem. 2021; 21(9):1191-1199.
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Ibrahim M, Latif A, Ali A, Ribeiro AI, Farooq U, Ullah F, Khan A, Al-Harrasi A, Ahmad M, Ali M. Macrocyclic sulfone derivatives: Synthesis, characterization, in vitro biological evaluation and molecular docking. Drug Dev Res. 2021 06; 82(4):562-574.
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Agamah FE, Mazandu GK, Hassan R, Bope CD, Thomford NE, Ghansah A, Chimusa ER. Computational/in silico methods in drug target and lead prediction. Brief Bioinform. 2020 09 25; 21(5):1663-1675.
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Li C, Dai T, Chen J, Li X, Li T, Liu C, McClements DJ. Protein-polyphenol functional ingredients: The foaming properties of lactoferrin are enhanced by forming complexes with procyanidin. Food Chem. 2021 Mar 01; 339:128145.
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Awasthi M, Gulati S, Sarkar DP, Tiwari S, Kateriya S, Ranjan P, Verma SK. The Sialoside-Binding Pocket of SARS-CoV-2 Spike Glycoprotein Structurally Resembles MERS-CoV. Viruses. 2020 08 19; 12(9).
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Dai T, Li T, Li R, Zhou H, Liu C, Chen J, McClements DJ. Utilization of plant-based protein-polyphenol complexes to form and stabilize emulsions: Pea proteins and grape seed proanthocyanidins. Food Chem. 2020 Nov 01; 329:127219.