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 |
|---|
| 2010 | 1 | 0 | 1 |
| 2011 | 0 | 1 | 1 |
| 2012 | 0 | 1 | 1 |
| 2013 | 0 | 1 | 1 |
| 2014 | 3 | 1 | 4 |
| 2015 | 0 | 2 | 2 |
| 2016 | 1 | 2 | 3 |
| 2017 | 0 | 1 | 1 |
| 2018 | 2 | 1 | 3 |
| 2019 | 1 | 5 | 6 |
| 2020 | 1 | 1 | 2 |
| 2021 | 2 | 3 | 5 |
| 2022 | 1 | 0 | 1 |
| 2024 | 1 | 0 | 1 |
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Below are the most recent publications written about "Molecular Dynamics Simulation" by people in Profiles.
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Differential effects of SARS-CoV-2 amyloidogenic segments on the aggregation and toxicity of human islet amyloid polypeptide within membrane environments. Int J Biol Macromol. 2024 Dec; 283(Pt 4):137930.
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Facilitating ab initio QM/MM free energy simulations by Gaussian process regression with derivative observations. Phys Chem Chem Phys. 2022 Oct 27; 24(41):25134-25143.
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Coordinated Actions of Cas9 HNH and RuvC Nuclease Domains Are Regulated by the Bridge Helix and the Target DNA Sequence. Biochemistry. 2021 12 14; 60(49):3783-3800.
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Making High-Dimensional Molecular Distribution Functions Tractable through Belief Propagation on Factor Graphs. J Phys Chem B. 2021 10 14; 125(40):11150-11158.
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Simulations of Promising Indolizidine-a6-ß2 Nicotinic Acetylcholine Receptor Complexes. Int J Mol Sci. 2021 Jul 25; 22(15).
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Role of Position K+4 in the Phosphorylation and Dephosphorylation Reaction Kinetics of the CheY Response Regulator. Biochemistry. 2021 07 06; 60(26):2130-2151.
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The Whole Is Bigger than the Sum of Its Parts: Drug Transport in the Context of Two Membranes with Active Efflux. Chem Rev. 2021 05 12; 121(9):5597-5631.
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Confronting pitfalls of AI-augmented molecular dynamics using statistical physics. J Chem Phys. 2020 Dec 21; 153(23):234118.
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Mitochondrial protein interaction landscape of SS-31. Proc Natl Acad Sci U S A. 2020 06 30; 117(26):15363-15373.
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Influence of interfacial tryptophan residues on an arginine-flanked transmembrane helix. Biochim Biophys Acta Biomembr. 2020 02 01; 1862(2):183134.