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https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.1358
Molecular simulations are promising tools for in silico design of drug delivery formulations, as they provide a prediction of formulation properties prior to synthesis thus minimizing the need for in vitro and in vivo experimentation.Author: Ratna S. Katiyar, Prateek K. Jha
https://www.intechopen.com/books/molecular-dynamics/molecular-dynamics-simulations-to-study-drug-delivery-systems
The molecular understanding of the encapsulation process could be very helpful to guide the nanocarrier for a specific system. Here we discuss different applications of drug delivery carriers, such as liposomes, polymeric micelles, and polymersomes using atomistic …Author: Juan M.R. Albano, Eneida de Paula, Monica Pickholz
https://www.sciencedirect.com/science/article/pii/S0927776520300746
Drug distribution in polymer dissolvable microneedles (MNs) is essential for enhancing the efficiency of drug delivery. In the present work, multiscale simulation was applied to study the interactions between polymer and drug molecules, which may influence the drug distribution in the MNs.Author: Yun Hao Feng, Jing Ling Liu, Dan Dan Zhu, Yu Ying Hao, Xin Dong Guo
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1751485/
Computer simulations demonstrate that in local drug delivery to the inner ear, both the drug delivery system and the application protocol significantly influence the distribution of substance within the inner ear. To select the appropriate drug delivery system, it is therefore necessary to understand and quantify drug distribution in the ear.Author: Stefan K. Plontke, Alec N. Salt
https://www.sciencedirect.com/science/article/pii/S2212017312002654
This work describes the design and simulation using Computational Fluid Dynamics (CFD) of a High Precision Drug Delivery System which is part of a bionic pancreas. The system interacts in a dynamic and intelligent way with other subsystems of the device, which includes a non-invasive monitor of glucose and the control algorithm for the entire system.Author: R.Lopez-Salazar, S. Camacho-Leon, L. Olivares-Quiroz, J. Hernandez
https://www.researchgate.net/publication/322868494_Molecular_simulations_in_drug_delivery_Opportunities_and_challenges
Molecular simulations are promising tools for in silico design of drug delivery formulations, as they provide a prediction of formulation properties prior to synthesis thus minimizing the need for...
https://www.sciencedirect.com/science/article/pii/S0378517313006236
In-silico simulations of advanced drug delivery will become more and more important in the future, since they provide two crucial benefits: (1) The underlying physical, chemical and biological phenomena can be better understood, and (2) The optimization of innovative systems can be facilitated.Author: Juergen Siepmann, Juergen Siepmann
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