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,
click here.
| Year | Major Topic | Minor Topic | Total |
|---|
| 2000 | 1 | 0 | 1 |
| 2010 | 2 | 7 | 9 |
| 2011 | 4 | 9 | 13 |
| 2012 | 4 | 6 | 10 |
| 2013 | 5 | 6 | 11 |
| 2014 | 4 | 14 | 18 |
| 2015 | 3 | 7 | 10 |
| 2016 | 5 | 8 | 13 |
| 2017 | 3 | 7 | 10 |
| 2018 | 4 | 4 | 8 |
| 2019 | 2 | 9 | 11 |
| 2020 | 5 | 9 | 14 |
| 2021 | 4 | 5 | 9 |
| 2022 | 1 | 5 | 6 |
| 2023 | 3 | 2 | 5 |
| 2024 | 4 | 9 | 13 |
| 2025 | 1 | 6 | 7 |
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Below are the most recent publications written about "Molecular Dynamics Simulation" by people in Profiles.
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Hui B, Bu Z, Cheng X. Role of vinculin in the structural dynamics of cadherin-catenin complexes and its implications for F-actin binding. Protein Sci. 2025 Sep; 34(9):e70259.
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Vasquez Rodriguez SY, Lazaridis T. Seeking the Membrane-Bound Structure of the Caveolin 8S Complex. J Phys Chem B. 2025 Aug 07; 129(31):7932-7938.
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van Heesch T, Sharma S, van Erp B, Ort?z APA, Dame RT, Vreede J, Gavvala K. Adaptation of DNA to Protein Binding Revealed by Spectroscopy and Molecular Simulation. J Phys Chem B. 2025 Jun 12; 129(23):5653-5663.
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Gemeinhardt TM, Regy RM, Phan TM, Pal N, Sharma J, Senkovich O, Mendiola AJ, Ledterman HJ, Henrickson A, Lopes D, Kapoor U, Bihani A, Sihou D, Kim YC, Jeruzalmi D, Demeler B, Kim CA, Mittal J, Francis NJ. A disordered linker in the Polycomb protein Polyhomeotic tunes phase separation and oligomerization. Mol Cell. 2025 Jun 05; 85(11):2128-2146.e15.
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Sharma T, Mondal T, Saralamma VVG, Hassan MI, Kim CJ, Churqui MP, Nystr?m K, Thombare K, Baig MH, Dong JJ. Exploring the exportin-1 inhibitors for COVID-19 and anticancer treatment. J Biomol Struct Dyn. 2026 Jan; 44(1):463-474.
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Aishwarya S, Torres GC, Lopez-Saenz JA, Gutierrez DA, Kumar S, Madarakhandi A, Metikurki B, Teraiya N, Aguilera RJ, Karki SS. Synthesis of novel pyridazine and pyrimidine linked pyrazole derivatives as DNA ligase 1 and IV inhibitors that induce apoptosis. Chem Biol Interact. 2025 Jun 01; 414:111509.
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Srivastav AK, Jaiswal J, Rajput PK, Yadav UCS, Singh R, Kumar U. In silico and in vitro profiling of sphingomyelin loaded zein nanoconstructs with optimized aromatic interactions and pharmacokinetics for colon cancer therapeutics. Int J Biol Macromol. 2025 May; 307(Pt 1):141845.
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Alves CC, Lewis J, Antunes DA, Donadi EA. The Role of Vimentin Peptide Citrullination in the Structure and Dynamics of HLA-DRB1 Rheumatoid Arthritis Risk-Associated Alleles. Int J Mol Sci. 2024 Dec 24; 26(1).
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Guo W, Alarcon E, Sanchez JE, Xiao C, Li L. Modeling Viral Capsid Assembly: A Review of Computational Strategies and Applications. Cells. 2024 12 17; 13(24).
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Bhowal P, Jameson D, Banerjee R. Investigating the binding of fluorescent probes to a trypanosomal-tRNA synthetase: A fluorescence spectroscopic and molecular dynamics study. Arch Biochem Biophys. 2025 Feb; 764:110263.