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http://www.eurekaselect.com/openurl/content.php?genre=article&issn=0929-8673&volume=17&issue=36&spage=4482
Computational Simulation of Drug Delivery at Molecular Level Author(s): Youyong Li , Tingjun Hou . Institute of Functional Nano&Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials&Devices, Soochow University, Suzhou, Jiangsu 215123, P. R. China., China
https://www.wiley.com/en-us/Computational+Pharmaceutics%3A+Application+of+Molecular+Modeling+in+Drug+Delivery-p-9781118573990
Jul 20, 2015 · Molecular modeling techniques have been widely used in drug discovery fields for rational drug design and compound screening. Now these techniques are used to model or mimic the behavior of molecules, and help us study formulation at the molecular level…Author: Defang Ouyang
https://www.researchgate.net/publication/278410310_Computational_Simulation_of_Inorganic_Nanoparticle_Drug_Delivery_Systems_at_the_Molecular_Level
Request PDF Computational Simulation of Inorganic Nanoparticle Drug Delivery Systems at the Molecular Level A primary goal in drug delivery research and drug development is to identify agents ...
https://onlinelibrary.wiley.com/doi/10.1002/9781118573983.ch8
Computational Simulation of Inorganic Nanoparticle Drug Delivery Systems at the Molecular Level. ... This chapter reviews recent progress resulting from computational simulations of drug delivery systems including the authors' latest molecular dynamics (MD) study of drug delivery, which provides us a theoretical view of drug delivery process. ...Author: Xiaotian Sun, Zhiwei Feng, Tingjun Hou, Youyong Li
https://www.sciencedirect.com/science/article/pii/S0168365919303244
While the advent of nano-engineered drug delivery systems (DDSs) has revived hopes for better management of a wide range of pathologies, critical appraisal of the field has shown that further improvement of nanomedicine demands a paradigmatic shift in design and development approaches currently employed by drug developers.Author: Milad Shamsi, Amir Mohammadi, Mohammad K.D. Manshadi, Amir Sanati-Nezhad
https://searchworks.stanford.edu/view/11366051
Now these techniques are used to model or mimic the behavior of molecules, and help us study formulation at the molecular level. Computational pharmaceutics enables us to understand the mechanism of drug delivery, and to develop new drug delivery systems.
https://www.researchgate.net/publication/272148044_Computational_Modeling_of_Nanoparticle_Targeted_Drug_Delivery
Computational Modeling of Nanoparticle Targeted Drug Delivery. March 2012; ... to molecular level ligand-receptor binding. Computer simulation is envisioned to be able to optimize drug carrier ...
https://www.sciencedirect.com/topics/engineering/computational-simulation
The computational simulation is carried out in an iterative incremental scheme to solve the evolution of both the concentration of molecular factors and the appearance of odontoblasts. The mesenchymal tissue is assumed as a structural matrix with an initial concentration of mesenchymal cells of 4(10 6 ) cell/mm 3 .
https://www.frontiersin.org/articles/10.3389/fmats.2015.00064/full
Oct 14, 2015 · Most of the computational studies for drug delivery use molecular dynamics (MD) simulations. Following the Newton’s second law, a MD simulation mimics the natural pathway of molecular motion to sample successive configurations. At a given temperature, the initial velocities of molecules are assigned by the Maxwell–Boltzmann distribution.Author: Naresh Thota, Jianwen Jiang
https://drug-dev.com/computational-methods-formulation-development-an-innovative-simulation-based-approach/
Tom Reynolds, PhD, Matt Wessel, PhD, Sanjay Konagurthu, PhD, and Marshall Crew, PhD, report that computational methods, such as QM and MD simulations, are playing an ever-expanding role in drug discovery and development, and transforming advances …
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