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 | 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 | 0 | 2 | 2 |
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Below are the most recent publications written about "Molecular Dynamics Simulation" by people in Profiles.
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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.
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Mechanisms of distinctive mismatch tolerance between Rad51 and Dmc1 in homologous recombination. Nucleic Acids Res. 2021 12 16; 49(22):13135-13149.
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CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field. J Comput Chem. 2022 02 15; 43(5):359-375.
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The chemotherapeutic CX-5461 primarily targets TOP2B and exhibits selective activity in high-risk neuroblastoma. Nat Commun. 2021 11 09; 12(1):6468.
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Structural Ensemble of the Insulin Monomer. Biochemistry. 2021 10 26; 60(42):3125-3136.
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Antiviral evaluation of hydroxyethylamine analogs: Inhibitors of SARS-CoV-2 main protease (3CLpro), a virtual screening and simulation approach. Bioorg Med Chem. 2021 10 01; 47:116393.
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Folding and misfolding of potassium channel monomers during assembly and tetramerization. Proc Natl Acad Sci U S A. 2021 08 24; 118(34).