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
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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 |
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2012 | 1 | 5 | 6 |
2013 | 1 | 5 | 6 |
2014 | 0 | 5 | 5 |
2015 | 2 | 6 | 8 |
2016 | 2 | 6 | 8 |
2017 | 1 | 7 | 8 |
2018 | 3 | 6 | 9 |
2019 | 0 | 7 | 7 |
2020 | 1 | 19 | 20 |
2021 | 1 | 15 | 16 |
2022 | 0 | 14 | 14 |
2023 | 0 | 8 | 8 |
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Below are the most recent publications written about "Molecular Docking Simulation" by people in Profiles.
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TP-0184 inhibits FLT3/ACVR1 to overcome FLT3 inhibitor resistance and hinder AML growth synergistically with venetoclax. Leukemia. 2024 01; 38(1):82-95.
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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 Oct 31; 120(44):e2307793120.
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Selective reprogramming of regulatory T cells in solid tumors can strongly enhance or inhibit tumor growth. Front Immunol. 2023; 14:1274199.
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Integrated Bioinformatics Analysis Confirms the Diagnostic Value of Nourin-Dependent miR-137 and miR-106b in Unstable Angina Patients. Int J Mol Sci. 2023 Sep 30; 24(19).
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Activation of Munc13-1 by Diacylglycerol (DAG)-Lactones. Biochemistry. 2023 09 19; 62(18):2717-2726.
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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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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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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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Molecular dynamics simulation and pharmacokinetics studies of ombuin and quercetin against human pancreatic a-amylase. J Biomol Struct Dyn. 2023 12; 41(20):10388-10395.