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 |
---|
2009 | 1 | 0 | 1 |
2010 | 1 | 4 | 5 |
2011 | 2 | 4 | 6 |
2012 | 2 | 4 | 6 |
2013 | 0 | 8 | 8 |
2014 | 3 | 8 | 11 |
2015 | 1 | 5 | 6 |
2016 | 1 | 7 | 8 |
2017 | 0 | 3 | 3 |
2018 | 2 | 7 | 9 |
2019 | 0 | 2 | 2 |
2020 | 3 | 15 | 18 |
2021 | 2 | 7 | 9 |
2022 | 2 | 3 | 5 |
2023 | 1 | 2 | 3 |
To return to the timeline,
click here.
Below are the most recent publications written about "Molecular Dynamics Simulation" by people in Profiles.
-
Molecular dynamics simulations corroborate recombinant expression studies carried out on three aIIb ?-propeller mutations reported in Indian Glanzmann thrombasthenia patients. J Cell Biochem. 2023 07; 124(7):989-1001.
-
Controlling cell proliferation by targeting cyclin-dependent kinase 6 using drug repurposing approach. Adv Protein Chem Struct Biol. 2023; 135:97-124.
-
Comparison of the ligand binding site of C1 domains: a molecular dynamics simulation study of the C1 domain-phorbol 13-acetate-membrane system. J Biomol Struct Dyn. 2023; 41(21):11796-11809.
-
Effects of the pathological E200K mutation on human prion protein: A computational screening and molecular dynamics approach. J Cell Biochem. 2023 02; 124(2):254-265.
-
Molecular dynamics simulation and pharmacokinetics studies of ombuin and quercetin against human pancreatic a-amylase. J Biomol Struct Dyn. 2023 12; 41(20):10388-10395.
-
Identification of potential inhibitors, conformational dynamics, and mechanistic insights into mutant Kirsten rat sarcoma virus (G13D) driven cancers. J Cell Biochem. 2022 09; 123(9):1467-1480.
-
Immune epitopes identification and designing of a multi-epitope vaccine against bovine leukemia virus: a molecular dynamics and immune simulation approaches. Cancer Immunol Immunother. 2022 Oct; 71(10):2535-2548.
-
Structure prediction of eukaryotic elongation factor-2 kinase and identification of the binding mechanisms of its inhibitors: homology modeling, molecular docking, and molecular dynamics simulation. J Biomol Struct Dyn. 2022; 40(24):13355-13365.
-
Molecular dynamics simulation studies on binding of activator and inhibitor to Munc13-1 C1 in the presence of membrane. J Biomol Struct Dyn. 2022; 40(24):14160-14175.
-
Characterization of SARS2 Nsp15 nuclease activity reveals it's mad about U. Nucleic Acids Res. 2021 09 27; 49(17):10136-10149.