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Journal of Biomolecular Structure and Dynamics Volume 37, 2019 - Issue 16
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Research Article

A coarse-grain MD (molecular dynamic) simulation of PCL–PEG and PLA–PEG aggregation as a computational model for prediction of the drug-loading efficacy of doxorubicin

Seyed Mohammad Ebrahim KamraniDepartment of Medicinal Chemistry, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Iran; ORCID Iconhttp://orcid.org/0000-0001-7825-4447
ORCID Icon &
Farzin HadizadehDepartment of Medicinal Chemistry, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Iran; ;Biotechnology Research Center, Pharmaceutical Technology Institute, Mashhad University of Medical Sciences, Mashhad, IranCorrespondence[email protected]
ORCID Iconhttp://orcid.org/0000-0002-7680-8191
ORCID Icon
Pages 4215-4221 | Received 10 Aug 2018, Accepted 22 Oct 2018, Published online: 10 Jan 2019

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Dalia Santos-Luna, Yudibeth Sixto-López, Diego Bravo-Alfaro, Cynthia Cano-Sarmiento, Hugo García & José Correa-Basurto. (2023) Design and simulation of a caprylic acid enzymatically modified phosphatidylcholine micelle using a coarse-grained molecular dynamics simulations approach. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-12.
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Articles from other publishers (5)

Anastasiia M. Desyatskova, Ekaterina V. Kuznetsova, Yulia A. Puchkova, Evgeny V. Yastremsky, Artem V. Bakirov, Petr V. Dmitryakov, Alexander I. Buzin & Sergei N. Chvalun. (2023) Effect of stereocomplex formation between enantiomeric poly(l,l-lactide) and poly(d,d-lactide) blocks on self-organization of amphiphilic poly(lactide)-block-poly(ethylene oxide) copolymers in dilute aqueous solution. Mendeleev Communications 33:1, pages 86-89.
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Alexander A. Artyukhov, Anna M. Nechaeva, Mikhail I. Shtilman, Evgeniy M. Chistyakov, Alina Yu. Svistunova, Dmitry V. Bagrov, Andrey N. Kuskov, Anca O. Docea, Aristides M. Tsatsakis, Leonid Gurevich & Yaroslav O. Mezhuev. (2022) Nanoaggregates of Biphilic Carboxyl-Containing Copolymers as Carriers for Ionically Bound Doxorubicin. Materials 15:20, pages 7136.
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Stefania Marano, Emiliano Laudadio, Cristina Minnelli & Pierluigi Stipa. (2022) Tailoring the Barrier Properties of PLA: A State-of-the-Art Review for Food Packaging Applications. Polymers 14:8, pages 1626.
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Huiling Song, Yu Yin, Jiahui Peng, Zixiu Du & Wei Bao. (2021) Preparation, Characteristics, and Controlled Release Efficiency of the Novel PCL-PEG/EM Rod Micelles. Journal of Nanomaterials 2021, pages 1-10.
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H. Asadzadeh, A. Moosavi & J.H. Arghavani. (2020) The effect of chitosan and PEG polymers on stabilization of GF-17 structure: A molecular dynamics study. Carbohydrate Polymers 237, pages 116124.
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