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 |
|---|
| 2007 | 1 | 0 | 1 |
| 2009 | 0 | 1 | 1 |
| 2010 | 7 | 3 | 10 |
| 2011 | 8 | 8 | 16 |
| 2012 | 12 | 16 | 28 |
| 2013 | 18 | 5 | 23 |
| 2014 | 10 | 7 | 17 |
| 2015 | 14 | 9 | 23 |
| 2016 | 6 | 10 | 16 |
| 2017 | 7 | 11 | 18 |
| 2018 | 9 | 20 | 29 |
| 2019 | 5 | 6 | 11 |
| 2020 | 4 | 15 | 19 |
| 2021 | 3 | 13 | 16 |
| 2022 | 0 | 3 | 3 |
| 2023 | 2 | 5 | 7 |
| 2024 | 10 | 6 | 16 |
| 2025 | 2 | 13 | 15 |
| 2026 | 3 | 4 | 7 |
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Below are the most recent publications written about "Molecular Dynamics Simulation" by people in Profiles.
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Dynamical Nonequilibrium Molecular Dynamics Simulations Reveal Atomistic Steps of C-Type Inactivation in Cardiac hERG Channels. J Am Chem Soc. 2026 09 09; 148(35):37738-37750.
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Characterization and modulation of human insulin degrading enzyme conformational dynamics to control enzyme activity. Elife. 2026 Jun 08; 14.
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Molecular Dynamics-Guided Design and Chemoproteomic Profiling of Covalent Kinase Activity Probes. J Am Chem Soc. 2026 04 01; 148(12):12641-12654.
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Structures of ALG3/9/12 reveal the assembly logic of the N-glycan oligomannose core. Nat Chem Biol. 2026 Sep; 22(9):1501-1513.
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Structural basis for domain coupling in heteromeric glycine receptors revealed by an atypical allosteric agonist. Sci Adv. 2026 Feb 13; 12(7):eaeb2036.
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Molecular dynamics analyses of CLDN15 pore size and charge selectivity. J Gen Physiol. 2026 Mar 02; 158(2).
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The BK channel-NS1619 agonist complex reveals molecular insights into allosteric activation gating. Proc Natl Acad Sci U S A. 2026 Feb 03; 123(5):e2507707123.
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Conductance of a potassium channel in the limit of zero membrane potential. Biophys J. 2026 Aug 18; 125(16):4097-4102.
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Force field sensitivity of ion occupancy in potassium channels. Biophys J. 2026 Aug 18; 125(16):4131-4146.
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The far extracellular CUB domain of the adhesion GPCR ADGRG6/GPR126 is a key regulator of receptor signaling. Proc Natl Acad Sci U S A. 2025 Dec 02; 122(48):e2409184122.