 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, click here.
| Year | Major Topic | Minor Topic | Total |
|---|
| 2010 | 2 | 6 | 8 | | 2011 | 6 | 6 | 12 | | 2012 | 9 | 5 | 14 | | 2013 | 6 | 11 | 17 | | 2014 | 3 | 14 | 17 | | 2015 | 5 | 11 | 16 | | 2016 | 7 | 11 | 18 | | 2017 | 6 | 7 | 13 | | 2018 | 6 | 9 | 15 | | 2019 | 2 | 14 | 16 | | 2020 | 1 | 8 | 9 | | 2021 | 1 | 8 | 9 | | 2022 | 4 | 4 | 8 | | 2023 | 2 | 2 | 4 | | 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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Briganti L, Manzine LR, de Mello Capetti CC, de Ara?jo EA, de Oliveira Arnoldi Pellegrini V, Guimaraes FEG, de Oliveira Neto M, Polikarpov I. Unravelling biochemical and structural features of Bacillus licheniformis GH5 mannanase using site-directed mutagenesis and high-resolution protein crystallography studies. Int J Biol Macromol. 2024 Aug; 274(Pt 2):133182.
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Sallaberry CA, Voss BJ, Stone WB, Estrada F, Bhatia A, Soto JD, Griffin CW, Vander Zanden CM. Curcumin Reduces Amyloid Beta Oligomer Interactions with Anionic Membranes. ACS Chem Neurosci. 2023 11 15; 14(22):4026-4038.
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Pegram L, Riccardi D, Ahn N. Activation Loop Plasticity and Active Site Coupling in the MAP Kinase, ERK2. J Mol Biol. 2023 12 01; 435(23):168309.
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Gates CA, Backos DS, Reigan P, Natale NR. The Lateral Metalation of Isoxazolo[3,4-d]pyridazinones towards Hit-to-Lead Development of Selective Positive Modulators of Metabotropic Glutamate Receptors. Molecules. 2023 Sep 25; 28(19).
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Friedman AJ, Padgette HM, Kramer L, Liechty ET, Donovan GW, Fox JM, Shirts MR. Biophysical Rationale for the Selective Inhibition of PTP1B over TCPTP by Nonpolar Terpenoids. J Phys Chem B. 2023 10 05; 127(39):8305-8316.
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Mukherjee S, Manna P, Douglas N, Chapagain PP, Jimenez R. Conformational Dynamics of mCherry Variants: A Link between Side-Chain Motions and Fluorescence Brightness. J Phys Chem B. 2023 01 12; 127(1):52-61.
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Vermaas JV, Crowley MF, Beckham GT. Molecular simulation of lignin-related aromatic compound permeation through gram-negative bacterial outer membranes. J Biol Chem. 2022 12; 298(12):102627.
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Friedman AJ, Liechty ET, Kramer L, Sarkar A, Fox JM, Shirts MR. Allosteric Inhibition of PTP1B by a Nonpolar Terpenoid. J Phys Chem B. 2022 10 27; 126(42):8427-8438.
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Vander Zanden CM, Majewski J, Weissbarth Y, Browne DF, Watkins EB, Gabius HJ. Structure of Galectin-3 bound to a model membrane containing ganglioside GM1. Biophys J. 2023 06 06; 122(11):1926-1937.
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Himbert S, D'Alessandro A, Qadri SM, Majcher MJ, Hoare T, Sheffield WP, Nagao M, Nagle JF, Rheinst?dter MC. The bending rigidity of the red blood cell cytoplasmic membrane. PLoS One. 2022; 17(8):e0269619.
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