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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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Zahra Taherimehr, Maryam Zaboli & Masoud Torkzadeh-Mahani. (2022) New insight into the molecular mechanism of the trehalose effect on urate oxidase stability. Journal of Biomolecular Structure and Dynamics 40:4, pages 1461-1471.
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Ranga Srinath Jayakody, Lakshitha Ishara Jasin Arachchige & Achini Japahuge. (2021) Computational elucidation and validation of the three-dimensional structure of humanized aldolase catalytic antibody 38C2. Journal of Biomolecular Structure and Dynamics 39:7, pages 2463-2477.
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Farzane Abasi Joozdani & Majid Taghdir. (2021) A molecular dynamics investigation on transporting mechanism of glucose through a cyclic peptide nanotube. Journal of Biomolecular Structure and Dynamics 39:6, pages 2230-2241.
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Wenxi Cai, Jingwei Wu, Yingzhan Sun, Ailin Liu, Runling Wang, Ying Ma, Shuqing Wang & Weili Dong. (2021) Synthesis, evaluation, molecular dynamics simulation and targets identification of novel pyrazole-containing imide derivatives. Journal of Biomolecular Structure and Dynamics 39:6, pages 2176-2188.
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Surendra Kumar, Rashmi Rana & Dharmendra K. Yadav. (2021) Atomic-scale modeling of the effect of lipid peroxidation on the permeability of reactive species. Journal of Biomolecular Structure and Dynamics 39:4, pages 1284-1294.
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Xinwei Guo, S. Mohammad Sajadi, Nafis Ahmad, Tariq J. Al-Musawi, Navid Nasajpour-Esfahani, Sh. Esmaeili, M. Abdulfadhil Gatea, Ali Alsalamy & D. Toghraie. (2023) The computational study of external heat flux and silicon doping effect on displacement of C20 molecule in a carbon nanotube (CNT): A molecular dynamics method. Results in Physics 55, pages 107185.
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Nannan Wang, Yunsen Zhang, Wei Wang, Zhuyifan Ye, Hongyu Chen, Guanghui Hu & Defang Ouyang. (2023) How can machine learning and multiscale modeling benefit ocular drug development?. Advanced Drug Delivery Reviews 196, pages 114772.
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Gholamreza Jafari, Heidar Raissi, Ali Saberinasab & Samaneh Pasban. (2023) Phosphatidylcholine in the tear film of the eye: Enhanced topical delivery of fluorometholone to the eye. Inorganic Chemistry Communications 150, pages 110506.
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Samaneh Pasban & Heidar Raissi. (2022) PNIPAM/Hexakis as a thermosensitive drug delivery system for biomedical and pharmaceutical applications. Scientific Reports 12:1.
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Natalia L. von Ranke, Helena Carla Castro & Carlos R. Rodrigues. (2022) Molecular modelling and dynamics simulations of single-wall carbon nanotube as a drug carrier: New insights into the drug-loading process. Journal of Molecular Graphics and Modelling 113, pages 108145.
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Milica Radan, Teodora Djikic, Darija Obradovic & Katarina Nikolic. (2022) Application of in vitro PAMPA technique and in silico computational methods for blood-brain barrier permeability prediction of novel CNS drug candidates. European Journal of Pharmaceutical Sciences 168, pages 106056.
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Shirin Mollazadeh, Amirhossein Sahebkar, Mohsen Shahlaei & Sajad Moradi. (2021) Nano drug delivery systems: Molecular dynamic simulation. Journal of Molecular Liquids 332, pages 115823.
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Samaneh Pasban & Heidar Raissi. (2021) Nanotechnology-based approaches for targeting and delivery of drugs via Hexakis (m-PE) macrocycles. Scientific Reports 11:1.
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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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Alia Mejri, Bahoueddine Tangour, Guillaume Herlem & Fabien Picaud. (2021) Confinement of the antitumoral drug cisplatin inside edge-functionalized carbon nanotubes and its release near lipid membrane. The European Physical Journal D 75:3.
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Samaneh Pasban & Heidar Raissi. (2021) New insights into Hexakis macrocycles as a novel nano-carrier for highly potent anti-cancer treatment: A new challenge in drug delivery. Colloids and Surfaces B: Biointerfaces 197, pages 111402.
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N. Ershadi, R. Safaiee & M.M. Golshan. (2021) Functionalized (4,0) or (8,0) SWCNT as novel carriers of the anticancer drug 5-FU; A first-principle investigation. Applied Surface Science 536, pages 147718.
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Ahmad Haghi, Heidar Raissi, Hassan Hashemzadeh & Farzaneh Farzad. (2020) Designing a high-performance smart drug delivery system for the synergetic co-absorption of DOX and EGCG on ZIF-8. RSC Advances 10:72, pages 44533-44544.
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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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Roopali Jha, Amit Singh, P.K. Sharma & Neeraj Kumar Fuloria. (2020) Smart carbon nanotubes for drug delivery system: A comprehensive study. Journal of Drug Delivery Science and Technology 58, pages 101811.
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Samaneh Pasban, Heidar Raissi, Majid Pakdel & Farzaneh Farzad. (2019) Enhance the efficiency of 5-fluorouracil targeted delivery by using a prodrug approach as a novel strategy for prolonged circulation time and improved permeation. International Journal of Pharmaceutics 568, pages 118491.
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