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 | 8 | 15 |
| 2018 | 9 | 15 | 24 |
| 2019 | 5 | 4 | 9 |
| 2020 | 4 | 12 | 16 |
| 2021 | 3 | 12 | 15 |
| 2022 | 0 | 2 | 2 |
| 2023 | 2 | 5 | 7 |
| 2024 | 10 | 5 | 15 |
| 2025 | 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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Accurate Physics-Based Prediction of Binding Affinities of RNA- and DNA-Targeting Ligands. J Chem Inf Model. 2025 Feb 10; 65(3):1392-1403.
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Prognostic, biological, and structural implications of FLT3-JMD point mutations in acute myeloid leukemia: an analysis of Alliance studies. Leukemia. 2025 Mar; 39(3):623-631.
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Mechanisms underlying modulation of human GlyRa3 by Zn2+ and pH. Sci Adv. 2024 12 20; 10(51):eadr5920.
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Analysis of the Dynamics of a Complex, Multipathway Reaction: Insulin Dimer Dissociation. J Phys Chem B. 2024 Dec 26; 128(51):12728-12740.
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Early Folding Dynamics of i-Motif DNA Revealed by pH-Jump Time-Resolved X-ray Solution Scattering. J Am Chem Soc. 2024 Dec 11; 146(49):33743-33752.
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Constitutive opening of the Kv7.2 pore activation gate causes KCNQ2-developmental encephalopathy. Proc Natl Acad Sci U S A. 2024 Dec 03; 121(49):e2412388121.
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Isoleucine gate blocks K+ conduction in C-type inactivation. Elife. 2024 Nov 12; 13.
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Unraveling the Membrane Topology of TMEM151A: A Step Towards Understanding its Cellular Role. J Mol Biol. 2024 Dec 01; 436(23):168834.
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A Method for Treating Significant Conformational Changes in Alchemical Free Energy Simulations of Protein-Ligand Binding. J Chem Theory Comput. 2024 Oct 08; 20(19):8609-8623.
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CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed. J Phys Chem B. 2024 Oct 17; 128(41):9976-10042.