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 | 2 | 1 | 3 |
| 2011 | 2 | 2 | 4 |
| 2012 | 0 | 4 | 4 |
| 2013 | 1 | 4 | 5 |
| 2014 | 0 | 2 | 2 |
| 2015 | 1 | 5 | 6 |
| 2016 | 2 | 5 | 7 |
| 2017 | 1 | 8 | 9 |
| 2018 | 2 | 7 | 9 |
| 2019 | 2 | 4 | 6 |
| 2020 | 0 | 10 | 10 |
| 2021 | 3 | 4 | 7 |
| 2022 | 0 | 3 | 3 |
| 2024 | 3 | 2 | 5 |
| 2025 | 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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Durham ND, Jain A, Howard A, Luban J, Munro JB. Molecular basis for the increased fusion activity of the Ebola virus glycoprotein epidemic variant A82V: Insights from simulations and experiments. Cell Rep. 2025 Apr 22; 44(4):115521.
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Huang Z, Wang Y, McClements DJ, Dong R, Wang Y, Wang Q, Liu H, Yu Q, Xie J, Chen Y. Investigation of the interaction mechanism of citrus pectin-polyphenol-protein complex. Food Chem. 2025 Mar 15; 468:142419.
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Wang X, Chen Y, McClements DJ, Peng D, Chen H, Xu S, Deng Q, Geng F. Regulation of Microlocalization of Antioxidants by Surfactant Micelles in Oil-in-Water Emulsions. J Agric Food Chem. 2024 Nov 13; 72(45):25306-25318.
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Mackness BC, Morgan BR, Deveau LM, Kathuria SV, Zitzewitz JA, Massi F. A Hydrophobic Core Stabilizes the Residual Structure in the RRM2 Intermediate State of the ALS-linked Protein TDP-43. J Mol Biol. 2024 Nov 15; 436(22):168823.
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Conte M, Abraham A, Esposito A, Yang L, Gibcus JH, Parsi KM, Vercellone F, Fontana A, Di Pierno F, Dekker J, Nicodemi M. Polymer Physics Models Reveal Structural Folding Features of Single-Molecule Gene Chromatin Conformations. Int J Mol Sci. 2024 Sep 23; 25(18).
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Azzolino VN, Shaqra AM, Ali A, Kurt Yilmaz N, Schiffer CA. Elucidating the Substrate Envelope of Enterovirus 68-3C Protease: Structural Basis of Specificity and Potential Resistance. Viruses. 2024 Sep 05; 16(9).
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Singh Y, Jaswal S, Singh S, Verma SK, Thareja S. Dual aromatase-steroid sulfatase inhibitors (DASI's) for the treatment of breast cancer: a structure guided ligand based designing approach. J Biomol Struct Dyn. 2023 12; 41(20):10604-10626.
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Karlsson E, Schnatwinkel J, Paissoni C, Andersson E, Herrmann C, Camilloni C, Jemth P. Disordered Regions Flanking the Binding Interface Modulate Affinity between CBP and NCOA. J Mol Biol. 2022 07 15; 434(13):167643.
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Lee PY, Singh O, Bermudez H, Matysiak S. Recovery of enzyme structure and activity following rehydration from ionic liquid. Phys Chem Chem Phys. 2022 May 04; 24(17):10365-10372.
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Nordquist EB, English CA, Clerico EM, Sherman W, Gierasch LM, Chen J. Physics-based modeling provides predictive understanding of selectively promiscuous substrate binding by Hsp70 chaperones. PLoS Comput Biol. 2021 11; 17(11):e1009567.