 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 |
|---|
| 2013 | 1 | 3 | 4 | | 2016 | 1 | 0 | 1 | | 2019 | 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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Banh R, Cherny VV, Morgan D, Musset B, Thomas S, Kulleperuma K, Smith SME, Pomès R, DeCoursey TE. Hydrophobic gasket mutation produces gating pore currents in closed human voltage-gated proton channels. Proc Natl Acad Sci U S A. 2019 09 17; 116(38):18951-18961.
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Berti C, Furini S, Gillespie D. PACO: PArticle COunting Method To Enforce Concentrations in Dynamic Simulations. J Chem Theory Comput. 2016 Mar 08; 12(3):925-9.
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Morgan D, Musset B, Kulleperuma K, Smith SM, Rajan S, Cherny VV, Pomès R, DeCoursey TE. Peregrination of the selectivity filter delineates the pore of the human voltage-gated proton channel hHV1. J Gen Physiol. 2013 Dec; 142(6):625-40.
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Dreyer J, Strodel P, Ippoliti E, Finnerty J, Eisenberg B, Carloni P. Ion permeation in the NanC porin from Escherichia coli: free energy calculations along pathways identified by coarse-grain simulations. J Phys Chem B. 2013 Oct 31; 117(43):13534-42.
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Boda D, Henderson D, Gillespie D. The role of solvation in the binding selectivity of the L-type calcium channel. J Chem Phys. 2013 Aug 07; 139(5):055103.
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Kulleperuma K, Smith SM, Morgan D, Musset B, Holyoake J, Chakrabarti N, Cherny VV, DeCoursey TE, Pomès R. Construction and validation of a homology model of the human voltage-gated proton channel hHV1. J Gen Physiol. 2013 Apr; 141(4):445-65.
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