Molecular Dynamics Simulation
"Molecular Dynamics 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 developed to study the motion of molecules over a period of time.
| Descriptor ID |
D056004
|
| MeSH Number(s) |
E05.599.595.500 G02.111.570.895 L01.224.160.500
|
| Concept/Terms |
Molecular Dynamics Simulation- Molecular Dynamics Simulation
- Dynamics Simulation, Molecular
- Dynamics Simulations, Molecular
- Simulation, Molecular Dynamics
- Simulations, Molecular Dynamics
- Molecular Dynamics Simulations
Molecular Dynamics- Molecular Dynamics
- Dynamic, Molecular
- Dynamics, Molecular
- Molecular Dynamic
|
Below are MeSH descriptors whose meaning is more general than "Molecular Dynamics Simulation".
Below are MeSH descriptors whose meaning is more specific than "Molecular Dynamics Simulation".
This graph shows the total number of publications written about "Molecular Dynamics Simulation" by people in this website by year, and whether "Molecular Dynamics 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 |
|---|
| 2009 | 1 | 0 | 1 |
| 2010 | 0 | 1 | 1 |
| 2011 | 2 | 2 | 4 |
| 2012 | 2 | 2 | 4 |
| 2013 | 0 | 4 | 4 |
| 2014 | 3 | 3 | 6 |
| 2015 | 0 | 4 | 4 |
| 2016 | 2 | 6 | 8 |
| 2017 | 0 | 2 | 2 |
| 2018 | 2 | 6 | 8 |
| 2019 | 0 | 2 | 2 |
| 2020 | 3 | 11 | 14 |
| 2021 | 2 | 9 | 11 |
| 2022 | 1 | 3 | 4 |
| 2023 | 4 | 2 | 6 |
| 2024 | 1 | 1 | 2 |
| 2025 | 1 | 1 | 2 |
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Below are the most recent publications written about "Molecular Dynamics Simulation" by people in Profiles.
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Molecular dynamics at immune synapse lipid rafts influence the cytolytic behavior of CAR T cells. Sci Adv. 2025 Jan 10; 11(2):eadq8114.
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Nav1.2 channel mutations preventing fast inactivation lead to SCN2A encephalopathy. Brain. 2025 Jan 07; 148(1):212-226.
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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.
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A drug repurposing study identifies novel FOXM1 inhibitors with in vitro activity against breast cancer cells. Med Oncol. 2024 Jun 25; 41(8):188.
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Effects of the Y432S Cancer-Associated Variant on the Reaction Mechanism of Human DNA Polymerase ?. J Chem Inf Model. 2024 May 27; 64(10):4231-4249.
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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.
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Leveraging QM/MM and Molecular Dynamics Simulations to Decipher the Reaction Mechanism of the Cas9 HNH Domain to Investigate Off-Target Effects. J Chem Inf Model. 2023 11 13; 63(21):6834-6850.
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A new horizon in the phosphorylated sites of AGA: the structural impact of C163S mutation in aspartylglucosaminuria through molecular dynamics simulation. J Biomol Struct Dyn. 2024 May; 42(8):4313-4324.
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Identification of levomenthol derivatives as potential dipeptidyl peptidase-4 inhibitors: a comparative study with gliptins. J Biomol Struct Dyn. 2024 May; 42(8):4029-4047.
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Molecular dynamics simulations corroborate recombinant expression studies carried out on three aIIb ?-propeller mutations reported in Indian Glanzmann thrombasthenia patients. J Cell Biochem. 2023 07; 124(7):989-1001.