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
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MeSH Number(s) |
E05.599.595.500 G02.111.570.895 L01.224.160.500
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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
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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 |
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2007 | 1 | 0 | 1 |
2009 | 0 | 1 | 1 |
2010 | 7 | 3 | 10 |
2011 | 8 | 7 | 15 |
2012 | 11 | 15 | 26 |
2013 | 16 | 3 | 19 |
2014 | 10 | 7 | 17 |
2015 | 13 | 8 | 21 |
2016 | 6 | 7 | 13 |
2017 | 7 | 7 | 14 |
2018 | 9 | 15 | 24 |
2019 | 5 | 4 | 9 |
2020 | 4 | 12 | 16 |
2021 | 3 | 11 | 14 |
2022 | 0 | 2 | 2 |
2023 | 2 | 5 | 7 |
2024 | 0 | 1 | 1 |
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Below are the most recent publications written about "Molecular Dynamics Simulation" by people in Profiles.
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Dynamics of activation in the voltage-sensing domain of Ciona intestinalis phosphatase Ci-VSP. Nat Commun. 2024 Feb 15; 15(1):1408.
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Tuning Caco-2 permeability by cocrystallization: Insights from molecular dynamics simulation. Int J Pharm. 2024 Jan 25; 650:123666.
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Programming co-assembled peptide nanofiber morphology via anionic amino acid type: Insights from molecular dynamics simulations. PLoS Comput Biol. 2023 Dec; 19(12):e1011685.
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Molecular analysis of the type III interferon complex and its applications in protein engineering. Biophys J. 2023 11 07; 122(21):4254-4263.
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Molecular Dynamics Simulations of Ion Permeation in Human Voltage-Gated Sodium Channels. J Chem Theory Comput. 2023 May 23; 19(10):2953-2972.
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The intramembrane COOH-terminal domain of PRRT2 regulates voltage-dependent Na+ channels. J Biol Chem. 2023 05; 299(5):104632.
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Factors That Control the Force Needed to Unfold a Membrane Protein in Silico Depend on the Mode of Denaturation. Int J Mol Sci. 2023 Jan 31; 24(3).
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State-specific morphological deformations of the lipid bilayer explain mechanosensitive gating of MscS ion channels. Elife. 2023 01 30; 12.
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Mechanism of voltage sensing in Ca2+- and voltage-activated K+ (BK) channels. Proc Natl Acad Sci U S A. 2022 06 21; 119(25):e2204620119.
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Quaternary structure independent folding of voltage-gated ion channel pore domain subunits. Nat Struct Mol Biol. 2022 06; 29(6):537-548.