Research progress of coarse-grained molecular dynamics in drug carrier materials / 生物医学工程学杂志
Journal of Biomedical Engineering
;
(6): 799-804, 2023.
Article
in Chinese
| WPRIM
| ID: wpr-1008902
ABSTRACT
As one of the traditional computer simulation techniques, molecular simulation can intuitively display and quantify molecular structure and explain experimental phenomena from the microscopic molecular level. When the simulation system increases, the amount of calculation will also increase, which will cause a great burden on the simulation system. Coarse-grained molecular dynamics is a method of mesoscopic molecular simulation, which can simplify the molecular structure and improve computational efficiency, as a result, coarse-grained molecular dynamics is often used when simulating macromolecular systems such as drug carrier materials. In this article, we reviewed the recent research results of using coarse-grained molecular dynamics to simulate drug carriers, in order to provide a reference for future pharmaceutical preparation research and accelerate the entry of drug research into the era of precision drug design.
Full text:
Available
Index:
WPRIM (Western Pacific)
Main subject:
Drug Carriers
/
Molecular Dynamics Simulation
Language:
Chinese
Journal:
Journal of Biomedical Engineering
Year:
2023
Type:
Article
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