University of Kashan Journal of Nanostructures 2251-7871 2 4 2012 12 01 The Investigation of a Linear-Dendrite Copolymeric Nanoparticles As Drug Carriers: ONIOM Study 485 488 5421 10.7508/jns.2012.04.011 EN M. Oftadeh Chemistry Department, Payame Noor University, 19395-4697, Tehran, I. R. of IRAN N. Madadi Mahani Chemistry Department, Payame Noor University, 19395-4697, Tehran, I. R. of IRAN R. Bahjatmanesh Ardakani Chemistry Department, Payame Noor University, 19395-4697, Tehran, I. R. of IRAN Journal Article 2014 05 14 Linear–dendrite copolymers containing hyper branched poly(citric acid) and linear poly(ethylene glycol) blocks PCA–PEG–PCA are promising nonmaterial to use  in nanomedicine. To investigate their potential application in biological systems (especially for drug carries) ONIOM2 calculations were applied to study the nature of particular interactions between drug and the polymeric nanoparticles.   Binding energy (BE) and interaction energy (IE) analysis of these complexes allowed the fundamental features of the drug- the Linear– dendritic copolymers interactions to be assessed based on ONIOM method. The results show that they have weak interaction   and these complexes have relatively low stability and so PCA-PEG-PCA copolymers can use to as drug delivery. https://jns.kashanu.ac.ir/article_5421_8856b310b246e45d7d9a4cd6c52487d0.pdf