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Maksym V. Karachevtsev, Stepan G. Stepanian, Vladimir A. Valeev, Oksana S. Lytvyn, Ludwik Adamowicz & Victor A. Karachevtsev. (2022) Adsorption of Polyadenylic acid on graphene oxide: experiments and computer modeling. Journal of Biomolecular Structure and Dynamics 40:1, pages 425-437.
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M. V. Karachevtsev, S. G. Stepanian, L. Adamowicz & V. A. Karachevtsev. (2020) Modeling of nucleobase/oligonucleotide interaction with graphene and graphene oxide: the role of charging and/or oxidizing the graphene surface. Molecular Crystals and Liquid Crystals 697:1, pages 49-59.
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Junwei Yang, Yanhong Yuan & Guohong Chen. (2020) First–principles study of potassium adsorption and diffusion on graphene. Molecular Physics 118:1.
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Junwei Yang, Yanhong Yuan & Zhao Hua. (2016) Density functional theory study of interaction of graphene with hypoxanthine, xanthine, and uric acid. Molecular Physics 114:14, pages 2157-2163.
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Sathish Panneer Selvam, Shanmugasundaram Kamalakannan, K. Rudharachari Maiyelvaganan, Muthuramalingam Prakash, Sivalingam Gopi, Hansa Mahajan, Kyusik Yun & Sungbo Cho. (2023) Experimental insights and DFT analysis of metal-free DNA nanocatalyst with enhanced hydrogen evolution via phosphate-mediated proton acceptance. International Journal of Hydrogen Energy.
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Sathish Panneer Selvam & Sungbo Cho. (2023) Phosphate-driven H2O2 decomposition on DNA-bound bio-inspired activated carbon-based sensing platform for biological and food samples. Food Chemistry 421, pages 136234.
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Amarjeet Yadav. (2023) Interaction of bases and base pairs with polycyclic aromatic hydrocarbons as finite size model of graphene. Chemical Physics Impact 6, pages 100199.
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Mahnaz Shahabi, Heidar Raissi, Ameneh Zaboli & Roghayeh Yaghoobi. (2023) Assessment of two-dimensional materials on the biological membrane permeability of Epirubicin anti-cancer drug. Applied Surface Science 610, pages 155557.
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Sébastien Côté, Delphine Bouilly & Normand Mousseau. (2022) The molecular origin of the electrostatic gating of single-molecule field-effect biosensors investigated by molecular dynamics simulations. Physical Chemistry Chemical Physics 24:7, pages 4174-4186.
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Simone Fortunati, Marco Giannetto, Andrea Rozzi, Roberto Corradini & Maria Careri. (2021) PNA-functionalized magnetic microbeads as substrates for enzyme-labelled voltammetric genoassay for DNA sensing applied to identification of GMO in food. Analytica Chimica Acta 1153, pages 338297.
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Mahnaz Shahabi & Heidar Raissi. (2021) The transport of Idarubicin therapeutic agent using a novel graphene sheet as a drug delivery platform through a biomembrane. Journal of Molecular Liquids 323, pages 115050.
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Mohammad Kia Kiani, Ashraf Sadat Ghasemi & Fatemeh Ravari. (2020) Theoretical study on carbonaceous materials as high efficient carriers for crizotinib drug in liquid water by density functional theory approach. Structural Chemistry 31:4, pages 1553-1561.
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Bai Li & Zhi-Gang Shao. (2020) Adsorption of DNA/RNA nucleobases and base pairs on penta-graphene from first principles. Applied Surface Science 512, pages 145635.
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Flavio F. Contreras‐Torres, Elena V. Basiuk & Vladimir A. Basiuk. (2019) A dispersion‐corrected density functional theory study of the noncovalent interactions between nucleobases and carbon nanotube models containing stone–wales defects. Journal of Computational Chemistry 41:8, pages 780-789.
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F Walters, S Rozhko, D Buckley, E D Ahmadi, M Ali, Z Tehrani, J Mitchell, G Burwell, Y Liu, O Kazakova & O J Guy. (2020) Real-time detection of hepatitis B surface antigen using a hybrid graphene-gold nanoparticle biosensor. 2D Materials 7:2, pages 024009.
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Swati Sinha, Kunal Biswas, Angsuman Sarkar, Siddharth Shaw, Jaya Bandyopadhyay, Sanjukta Mitra & Debashis De. (2018) Tuning of Bandstructure of Single—Walled Carbon Nanotube Functionalized with ssDNA Oligonucleotide Sequence. Tuning of Bandstructure of Single—Walled Carbon Nanotube Functionalized with ssDNA Oligonucleotide Sequence.
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Suman Lata & Vikas. (2018) Concentration dependent adsorption of aromatic organic compounds by SWCNTs: Quantum-mechanical descriptors for nano-toxicological studies of biomolecules and agrochemicals. Journal of Molecular Graphics and Modelling 85, pages 232-241.
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Qianfen Zhuang, Wei Cao, Yongnian Ni & Yong Wang. (2018) Synthesis-identification integration: One-pot hydrothermal preparation of fluorescent nitrogen-doped carbon nanodots for differentiating nucleobases with the aid of multivariate chemometrics analysis. Talanta 185, pages 491-498.
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V.A. Karachevtsev, S.G. Stepanian, M.V. Karachevtsev & L. Adamowicz. (2018) Graphene induced molecular flattening of meso -5,10,15,20-tetraphenyl porphyrin: DFT calculations and molecular dynamics simulations. Computational and Theoretical Chemistry 1133, pages 1-6.
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Kun Harismah, Mahmoud Mirzaei, Hamed Sahebi, Oğuz Gülseren & Ali Shokuhi Rad. (2018) Chemically uracil–functionalized carbon and silicon carbide nanotubes: Computational studies. Materials Chemistry and Physics 205, pages 164-170.
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Kun Harismah, Mahmoud Mirzaei, Nahid Ghasemi & Mohammad Nejati. (2017)
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Maksym V. Karachevtsev, Stepan G. Stepanian, Alexander Yu. Ivanov, Victor S. Leontiev, Vladimir A. Valeev, Oksana S. Lytvyn, Ludwik Adamowicz & Victor A. Karachevtsev. (2017) Binding of Polycitydylic Acid to Graphene Oxide: Spectroscopic Study and Computer Modeling. The Journal of Physical Chemistry C 121:33, pages 18221-18233.
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Eugene S. Zarudnev, Stepan G. Stepanian, Ludwik Adamowicz, Victor S. Leontiev & Victor A. Karachevtsev. (2017) Comparison of noncovalent interactions of zigzag and armchair carbon nanotubes with heterocyclic and aromatic compounds: Imidazole and benzene, imidazophenazines, and tetracene. Chemical Physics 483-484, pages 68-77.
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Biwu Liu, Shehan Salgado, Vivek Maheshwari & Juewen Liu. (2016) DNA adsorbed on graphene and graphene oxide: Fundamental interactions, desorption and applications. Current Opinion in Colloid & Interface Science 26, pages 41-49.
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Marina V. Kosevich, Valentina G. Zobnina, Stepan G. Stepanian, Victor A. Karachevtsev & Ludwik Adamowicz. (2016) The effect of protonation of cytosine and adenine on their interactions with carbon nanotubes. Journal of Molecular Graphics and Modelling 70, pages 77-84.
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Soumadwip Ghosh & Rajarshi Chakrabarti. (2016) Unzipping of Double-Stranded Ribonucleic Acids by Graphene and Single-Walled Carbon Nanotube: Helix Geometry versus Surface Curvature. The Journal of Physical Chemistry C 120:39, pages 22681-22693.
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M. Ramezanpour, S.S.W. Leung, K.H. Delgado-Magnero, B.Y.M. Bashe, J. Thewalt & D.P. Tieleman. (2016) Computational and experimental approaches for investigating nanoparticle-based drug delivery systems. Biochimica et Biophysica Acta (BBA) - Biomembranes 1858:7, pages 1688-1709.
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Srivathsan V. Ranganathan, Ken Halvorsen, Chris A. Myers, Neil M. Robertson, Mehmet V. Yigit & Alan A. Chen. (2016) Complex Thermodynamic Behavior of Single-Stranded Nucleic Acid Adsorption to Graphene Surfaces. Langmuir 32:24, pages 6028-6034.
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Aggelos Avramopoulos, Nicolás Otero, Panaghiotis Karamanis, Claude Pouchan & Manthos G. Papadopoulos. (2016)
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