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 | 1 | 2 |
| 2011 | 2 | 0 | 2 |
| 2012 | 1 | 1 | 2 |
| 2014 | 1 | 1 | 2 |
| 2016 | 1 | 2 | 3 |
| 2017 | 0 | 1 | 1 |
| 2018 | 1 | 1 | 2 |
| 2019 | 1 | 0 | 1 |
| 2020 | 0 | 3 | 3 |
| 2021 | 1 | 1 | 2 |
| 2023 | 2 | 0 | 2 |
| 2024 | 1 | 2 | 3 |
| 2025 | 1 | 1 | 2 |
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Below are the most recent publications written about "Molecular Dynamics Simulation" by people in Profiles.
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Vitamin B2 Operates by Dual Thermodynamic and Kinetic Mechanisms to Selectively Tailor Urate Crystallization. J Am Chem Soc. 2025 Feb 05; 147(5):4324-4337.
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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.
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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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Physics-Based Machine Learning Trains Hamiltonians and Decodes the Sequence-Conformation Relation in the Disordered Proteome. J Chem Theory Comput. 2024 Nov 26; 20(22):10266-10274.
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Identification and molecular mechanism of novel hypoglycemic peptide in ripened pu-erh tea: Molecular docking, dynamic simulation, and cell experiments. Food Res Int. 2024 Oct; 194:114930.
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EnGens: a computational framework for generation and analysis of representative protein conformational ensembles. Brief Bioinform. 2023 07 20; 24(4).
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Comparison of the ligand binding site of C1 domains: a molecular dynamics simulation study of the C1 domain-phorbol 13-acetate-membrane system. J Biomol Struct Dyn. 2023; 41(21):11796-11809.
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Molecular dynamics simulation studies on binding of activator and inhibitor to Munc13-1 C1 in the presence of membrane. J Biomol Struct Dyn. 2022; 40(24):14160-14175.
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Frustrated peptide chains at the fibril tip control the kinetics of growth of amyloid-? fibrils. Proc Natl Acad Sci U S A. 2021 09 21; 118(38).
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Olanzapine crystal symmetry originates in preformed centrosymmetric solute dimers. Nat Chem. 2020 10; 12(10):914-920.