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 | 13 | 17 |
| 2015 | 3 | 6 | 9 |
| 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 | 8 | 9 |
| 2026 | 1 | 3 | 4 |
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click here.
Below are the most recent publications written about "Molecular Dynamics Simulation" by people in Profiles.
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Yensii NG, Bella-Omunagbe M, Dokunmu TM, Antonio-Nkondjio C, Adebayo AH, Ogunlana OO. In silico evaluation of DsiRNA-mediated targeting of arginase in Anopheles gambiae as a novel vector control strategy. Comput Biol Chem. 2026 Aug; 123:109055.
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Wilson DL, Chakraborty S, Sweety UH, Sharifan H, Hernandez JA, White JC, Vukovic L, Narayan M. A molecular and cellular understanding of PFDA-exposure-associated outcomes on biological assemblies. Environ Res. 2026 May 15; 297:124118.
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Beruldsen F, de Freitas MV, Antunes DA. High resolution mapping of protein motions in time and space with RMSX and Flipbook. Sci Rep. 2026 Feb 20; 16(1).
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Gao Y, Chen W, Zarogoulidis P, Yallapu MM, Nikolic MV, Vaishnani DK, Zheng J, Nedeljkovic N, Ye K, Guo Y, Xu Q. Multiomics and experimental validation reveal theophylline's mechanism targeting IL1A/ACTB/TLR4 and identify synergistic drugs in hepatocellular carcinoma. J Pharmacol Exp Ther. 2026 Mar; 393(3):103836.
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Anthony M, Xie Y, O'Neil JN, Teng S. Structural Analysis of Missense Mutations on the Stability of APOE3 and APOE4. Genes (Basel). 2025 Dec 16; 16(12).
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El-Bayaa MN, Srour AM, Alanzy AL, Messaoudi S, Abd-Rabou AA, Saleh A, Saleh MGA, El-Sayed WA. Synthesis, anticancer activity and computational studies of new benzimidazole-triazole-pyridine glycoside conjugates. Future Med Chem. 2025 Dec; 17(24):2927-2943.
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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.