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Mehri Deilam & Ashraf Sadat Ghasemi. (2022) Assessment of drug loading and release efficiencies of zigzag (8, 0) single-walled carbon nanotube as a Bendamustine hydrochloride drug delivery system in silico: DFT approach. Molecular Simulation 48:4, pages 282-289.
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Majid Pakdel, Heidar Raissi & Mahnaz Shahabi. (2020) Predicting doxorubicin drug delivery by single-walled carbon nanotube through cell membrane in the absence and presence of nicotine molecules: a molecular dynamics simulation study. Journal of Biomolecular Structure and Dynamics 38:5, pages 1488-1498.
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Maryam Dowlatabadi, Mansour Jahangiri & Nafiseh Farhadian. (2019) Prediction of chlortetracycline adsorption on the Fe3O4 nanoparticle using molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics 37:14, pages 3616-3626.
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M. Bazregari & N. Farhadian. (2018) Improvement of amoxicillin removal from aqueous environment by applying functionalized carbon nanotube. Environmental Technology 39:17, pages 2231-2242.
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Maryam Zaboli & Heidar Raissi. (2017) The influence of nicotine on pioglitazone encapsulation into carbon nanotube: the investigation of molecular dynamic and density functional theory. Journal of Biomolecular Structure and Dynamics 35:3, pages 520-534.
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Agneya Kamath, Anindita Laha, Sudharsan Pandiyan, Surabhi Aswath, Anoop Kishore Vatti & Poulumi Dey. (2022) Atomistic investigations of polymer-doxorubicin-CNT compatibility for targeted cancer treatment: A molecular dynamics study. Journal of Molecular Liquids 348, pages 118005.
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Dorota Chudoba, Monika Jażdżewska, Katarzyna Łudzik, Sebastian Wołoszczuk, Ewa Juszyńska-Gałązka & Mikołaj Kościński. (2021) Description of Release Process of Doxorubicin from Modified Carbon Nanotubes. International Journal of Molecular Sciences 22:21, pages 12003.
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Ali Bina, Heidar Raissi, Hassan Hashemzadeh & Farzaneh Farzad. (2021) Conjugation of a smart polymer to doxorubicin through a pH-responsive bond for targeted drug delivery and improving drug loading on graphene oxide. RSC Advances 11:31, pages 18809-18817.
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Halimeh Mirsalari, Afsaneh Maleki, Heidar Raissi & Azim Soltanabadi. (2021) Investigation of the Pristine and Functionalized Carbon Nanotubes as a Delivery System for the Anticancer Drug Dacarbazine: Drug Encapsulation. Journal of Pharmaceutical Sciences 110:5, pages 2005-2016.
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Leonor Contreras, Ignacio Villarroel, Camila Torres & Roberto Rozas. (2021) Doxorubicin Encapsulation in Carbon Nanotubes Having Haeckelite or Stone–Wales Defects as Drug Carriers: A Molecular Dynamics Approach. Molecules 26:6, pages 1586.
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Xiaodan Jiang, Dongqing Zhang, Ruixue Sun, Huachun Wang, Yuyao Yang, Hongda Guo & Yuanzheng Tang. (2021) A combined experimental and molecular dynamics simulation study on doxorubicin adsorption on strontium-substituted hydroxyapatite hollow microspheres. Applied Surface Science 542, pages 148667.
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Alex Bunker & Tomasz Róg. (2020) Mechanistic Understanding From Molecular Dynamics Simulation in Pharmaceutical Research 1: Drug Delivery. Frontiers in Molecular Biosciences 7.
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Chiara Pennetta, Giuseppe Floresta, Adriana Carol Eleonora Graziano, Venera Cardile, Lucia Rubino, Maurizio Galimberti, Antonio Rescifina & Vincenzina Barbera. (2020) Functionalization of Single and Multi-Walled Carbon Nanotubes with Polypropylene Glycol Decorated Pyrrole for the Development of Doxorubicin Nano-Conveyors for Cancer Drug Delivery. Nanomaterials 10:6, pages 1073.
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Daniele Veclani, Marilena Tolazzi & Andrea Melchior. (2020) Molecular Interpretation of Pharmaceuticals’ Adsorption on Carbon Nanomaterials: Theory Meets Experiments. Processes 8:6, pages 642.
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Camila Torres, Ignacio Villarroel, Roberto Rozas & Leonor Contreras. (2019) Carbon Nanotubes Having Haeckelite Defects as Potential Drug Carriers. Molecular Dynamics Simulation. Molecules 24:23, pages 4281.
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Azadeh Kordzadeh, Sepideh Amjad-Iranagh, Mahdi Zarif & Hamid Modarress. (2019) Adsorption and encapsulation of the drug doxorubicin on covalent functionalized carbon nanotubes: A scrutinized study by using molecular dynamics simulation and quantum mechanics calculation. Journal of Molecular Graphics and Modelling 88, pages 11-22.
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M. Leonor Contreras, Camila Torres, Ignacio Villarroel & Roberto Rozas. (2018) Molecular dynamics assessment of doxorubicin–carbon nanotubes molecular interactions for the design of drug delivery systems. Structural Chemistry 30:1, pages 369-384.
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Hassan Hashemzadeh & Heidar Raissi. (2017) The functionalization of carbon nanotubes to enhance the efficacy of the anticancer drug paclitaxel: a molecular dynamics simulation study. Journal of Molecular Modeling 23:8.
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S. Mehrad Fard, N. Farhadian, T. Rohani Bastami, M. Ebrahimi, M. Karimi & A. Allahyari. (2017) Synthesis, characterization and cellular cytotoxicity evaluation of a new magnetic nanoparticle carrier co-functionalized with amine and folic acid. Journal of Drug Delivery Science and Technology 38, pages 116-124.
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Yuanyu Wang, Liheng Xu, Fang Wei, Tao Ding, Ming Zhang & Runliang Zhu. (2021) Insights into the Adsorption Mechanism of Tetracycline on Hierarchically Porous Carbon and the Effect of Nanoporous Geometry. SSRN Electronic Journal.
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