 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 G02.575.750 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 |
|---|
| 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 | 7 | 20 | | 2016 | 6 | 7 | 13 | | 2017 | 7 | 8 | 15 | | 2018 | 9 | 15 | 24 | | 2019 | 5 | 4 | 9 | | 2020 | 2 | 5 | 7 |
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Below are the most recent publications written about "Molecular Dynamics Simulation" by people in Profiles.
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Kumar A, Basak S, Rao S, Gicheru Y, Mayer ML, Sansom MSP, Chakrapani S. Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs. Nat Commun. 2020 07 27; 11(1):3752.
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Maximov PY, Abderrahman B, Hawsawi YM, Chen Y, Foulds CE, Jain A, Malovannaya A, Fan P, Curpan RF, Han R, Fanning SW, Broom BM, Quintana Rincon DM, Greenland JA, Greene GL, Jordan VC. The Structure-Function Relationship of Angular Estrogens and Estrogen Receptor Alpha to Initiate Estrogen-Induced Apoptosis in Breast Cancer Cells. Mol Pharmacol. 2020 07; 98(1):24-37.
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Lin FY, Huang J, Pandey P, Rupakheti C, Li J, Roux BT, MacKerell AD. Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field. J Chem Theory Comput. 2020 May 12; 16(5):3221-3239.
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Ludwig NB, Weirch KL, Alster E, Witten TA, Gardel ML, Dasbiswas K, Vaikuntanathan S. Nucleation and shape dynamics of model nematic tactoids around adhesive colloids. J Chem Phys. 2020 Feb 28; 152(8):084901.
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Wolska A, Lo L, Sviridov DO, Pourmousa M, Pryor M, Ghosh SS, Kakkar R, Davidson M, Wilson S, Pastor RW, Goldberg IJ, Basu D, Drake SK, Cougnoux A, Wu MJ, Neher SB, Freeman LA, Tang J, Amar M, Devalaraja M, Remaley AT. A dual apolipoprotein C-II mimetic-apolipoprotein C-III antagonist peptide lowers plasma triglycerides. Sci Transl Med. 2020 01 29; 12(528).
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Fuladi S, Jannat RW, Shen L, Weber CR, Khalili-Araghi F. Computational Modeling of Claudin Structure and Function. Int J Mol Sci. 2020 Jan 23; 21(3).
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Ganguly A, Weissman BP, Giese TJ, Li NS, Hoshika S, Rao S, Benner SA, Piccirilli JA, York DM. Confluence of theory and experiment reveals the catalytic mechanism of the Varkud satellite ribozyme. Nat Chem. 2020 02; 12(2):193-201.
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Rangl M, Schmandt N, Perozo E, Scheuring S. Real time dynamics of Gating-Related conformational changes in CorA. Elife. 2019 11 27; 8.
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Suh D, Jo S, Jiang W, Chipot C, Roux B. String Method for Protein-Protein Binding Free-Energy Calculations. J Chem Theory Comput. 2019 Nov 12; 15(11):5829-5844.
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Prakash P, Gorfe AA. Probing the Conformational and Energy Landscapes of KRAS Membrane Orientation. J Phys Chem B. 2019 10 17; 123(41):8644-8652.
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