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 | 3 | 5 |
| 2013 | 0 | 4 | 4 |
| 2014 | 4 | 3 | 7 |
| 2015 | 0 | 4 | 4 |
| 2016 | 2 | 6 | 8 |
| 2017 | 1 | 3 | 4 |
| 2018 | 2 | 7 | 9 |
| 2019 | 0 | 4 | 4 |
| 2020 | 3 | 11 | 14 |
| 2021 | 3 | 12 | 15 |
| 2022 | 2 | 5 | 7 |
| 2023 | 3 | 4 | 7 |
| 2024 | 0 | 2 | 2 |
| 2025 | 1 | 6 | 7 |
| 2026 | 1 | 3 | 4 |
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Below are the most recent publications written about "Molecular Dynamics Simulation" by people in Profiles.
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Functional dynamics of water in New Delhi metallo-?-lactamase catalysis. Protein Sci. 2026 Jun; 35(6):e70633.
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Conformational gating mechanism for processive catalysis of ?(1,3)-glucans. Nat Commun. 2026 Mar 27; 17(1).
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The filamentous ultrastructure of the PopZ condensate is required for its cellular function. Nat Struct Mol Biol. 2026 Mar; 33(3):420-432.
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Computational Ligand-Binding Site Prediction. Adv Exp Med Biol. 2026; 1496:193-216.
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Heterogeneous Folding Intermediates Govern the Conformational Pathway of the RNA Recognition Motif Domain of the Ewing Sarcoma Protein. Biomolecules. 2025 12 24; 16(1).
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Identifying resonant frequencies of viruses for microwave-based detection and inactivation of pathogenic viruses. Sci Rep. 2025 Nov 28; 15(1):43920.
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Microbiota-derived corisin accelerates kidney fibrosis by promoting cellular aging. Nat Commun. 2025 Aug 25; 16(1):7591.
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Design and Synthesis of Potent and Selective Urea-linked Benzenesulfonamide Analogs as Carbonic Anhydrase II Inhibitors. Eur J Pharm Sci. 2025 Oct 01; 213:107233.
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A putative binding model of nitazene derivatives at the ?-opioid receptor. Neuropharmacology. 2025 08 01; 273:110437.
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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.