 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 |
|---|
| 2009 | 0 | 1 | 1 | | 2010 | 3 | 8 | 11 | | 2011 | 6 | 8 | 14 | | 2012 | 10 | 5 | 15 | | 2013 | 6 | 10 | 16 | | 2014 | 4 | 15 | 19 | | 2015 | 5 | 12 | 17 | | 2016 | 7 | 13 | 20 | | 2017 | 7 | 9 | 16 | | 2018 | 7 | 12 | 19 | | 2019 | 2 | 13 | 15 | | 2020 | 1 | 10 | 11 | | 2021 | 0 | 10 | 10 | | 2022 | 4 | 2 | 6 |
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Below are the most recent publications written about "Molecular Dynamics Simulation" by people in Profiles.
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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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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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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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Hoff SE, Di Silvio D, Ziolo RF, Moya SE, Heinz H. Patterning of Self-Assembled Monolayers of Amphiphilic Multisegment Ligands on Nanoparticles and Design Parameters for Protein Interactions. ACS Nano. 2022 06 28; 16(6):8766-8783.
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Hsu WT, Ramirez DA, Sammakia T, Tan Z, Shirts MR. Identifying signatures of proteolytic stability and monomeric propensity in O-glycosylated insulin using molecular simulation. J Comput Aided Mol Des. 2022 04; 36(4):313-328.
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Lyu T, Sohn SH, Jimenez R, Joo T. Temperature-Dependent Fluorescence of mPlum Fluorescent Protein from 295 to 20 K. J Phys Chem B. 2022 03 31; 126(12):2337-2344.
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Himbert S, Qadri SM, Sheffield WP, Schubert P, D'Alessandro A, Rheinst?dter MC. Blood bank storage of red blood cells increases RBC cytoplasmic membrane order and bending rigidity. PLoS One. 2021; 16(11):e0259267.
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Sprenger K, Roeters SJ, Mauri S, Mertig R, Nishiyama Y, Pfaendtner J, Weidner T. Direct Evidence for Aligned Binding of Cellulase Enzymes to Cellulose Surfaces. J Phys Chem Lett. 2021 Nov 04; 12(43):10684-10688.
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Born A, Soetbeer J, Breitgoff F, Henen MA, Sgourakis N, Polyhach Y, Nichols PJ, Strotz D, Jeschke G, V?geli B. Reconstruction of Coupled Intra- and Interdomain Protein Motion from Nuclear and Electron Magnetic Resonance. J Am Chem Soc. 2021 10 06; 143(39):16055-16067.
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Petersen BM, Ulmer SA, Rhodes ER, Gutierrez-Gonzalez MF, Dekosky BJ, Sprenger KG, Whitehead TA. Regulatory Approved Monoclonal Antibodies Contain Framework Mutations Predicted From Human Antibody Repertoires. Front Immunol. 2021; 12:728694.
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