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
|
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.
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Year | Major Topic | Minor Topic | Total |
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2014 | 0 | 2 | 2 |
2015 | 0 | 2 | 2 |
2016 | 0 | 1 | 1 |
2018 | 1 | 4 | 5 |
2019 | 1 | 3 | 4 |
2020 | 0 | 3 | 3 |
2021 | 1 | 4 | 5 |
2023 | 1 | 0 | 1 |
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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Thymoquinone, artemisinin, and thymol attenuate proliferation of lung cancer cells as Sphingosine kinase 1 inhibitors. Biomed Pharmacother. 2024 Aug; 177:117123.
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Discovering potential inhibitors of Raf proto-oncogene serine/threonine kinase 1: a virtual screening approach towards anticancer drug development. J Biomol Struct Dyn. 2024 Feb-Mar; 42(4):1846-1857.
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Optimization of covalent docking for organophosphates interaction with Anopheles acetylcholinesterase. J Mol Graph Model. 2022 01; 110:108054.
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MAP/Microtubule Affinity Regulating Kinase 4 Inhibitory Potential of Irisin: A New Therapeutic Strategy to Combat Cancer and Alzheimer's Disease. Int J Mol Sci. 2021 Oct 12; 22(20).
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Impact of single amino acid substitution on the structure and function of TANK-binding kinase-1. J Cell Biochem. 2021 10; 122(10):1475-1490.
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Structure-based investigation of MARK4 inhibitory potential of Naringenin for therapeutic management of cancer and neurodegenerative diseases. J Cell Biochem. 2021 10; 122(10):1445-1459.
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Targeting ebola virus VP40 protein through novel inhibitors: exploring the structural and dynamic perspectives on molecular landscapes. J Mol Model. 2021 Jan 25; 27(2):49.
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Structure-based identification of potential SARS-CoV-2 main protease inhibitors. J Biomol Struct Dyn. 2022 05; 40(8):3595-3608.
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Targeting the SARS-CoV-2 main protease using FDA-approved Isavuconazonium, a P2-P3 a-ketoamide derivative and Pentagastrin: An in-silico drug discovery approach. J Mol Graph Model. 2020 12; 101:107730.
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Discovery of Novel Tankyrase Inhibitors through Molecular Docking-Based Virtual Screening and Molecular Dynamics Simulation Studies. Molecules. 2020 Jul 11; 25(14).