(E)-4-(((2-amino-5-chlorophenyl)imino)methyl)-5-(hydroxy-methyl)-2-methylpyridin-3-ol and its Cu(II) complex: Synthesis, DFT calculations and AIM analysis by Yavari, Morteza, Beyramabadi, S., Morsali, Ali, Bozorgmehr, Mohammad

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Magnetite‐graphene oxide sheets as support for hemimicelles/admicelles based microextraction of acidic, basic and neutral compounds prior to gas chromatography determination by Nazari, Najmeh, Masrournia, Mahboubeh, Es'haghi, Zarrin, Bozorgmehr, Mohammad‐Reza

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Computational analysis of hydrogen bonds network dynamics in the water layers surrounding Aβ(1-42) and Aβ(1-40) peptide dimers by Zahraee, Hamed, Khoshbin, Zahra, Shahriar Arab, Seyed, Reza Bozorgmehr, Mohammad

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Deciphering the Impact of Cyclization and Lysine Charges on Antimicrobial Peptides Using Molecular Dynamics Simulations and Density Functional Theory by Saghiri, Afsane, Reza Bozorgmehr, Mohammad, Morsali, Ali

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Transport properties of mixtures composed of acetone, water, and supercritical carbon dioxide by molecular dynamics simulation by Sohrevardi, Nahid, Bozorgmehr, Mohammad Reza, Heravi, Mohammad Momen, Khanpour, Mehrdad

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Development of a New Magnetic Dispersive Solid-Phase Microextraction Coupled with GC-MS for the Determination of Five Organophosphorus Pesticides from Vegetable Samples by Dozein, Shahram Vaziri, Masrournia, Mahboubeh, Es’haghi, Zarrin, Bozorgmehr, Mohammad Reza

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Non-Covalent Hybridization of Carbon Nanotube by Single-Stranded DNA Homodecamers: in-silico Approach by Ghanbari-Ghanbarlo, Maryam, Bozorgmehr, Mohammad Reza, Morsali, Ali

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Self-association process of tetracycline antibiotic in different aqueous solutions: a joint experimental study and molecular dynamics simulation by Nabavi, Mahtab, Housaindokht, Mohammad Reza, Bozorgmehr, Mohammad Reza, Sadeghi, Abbas

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Determination of Thermodynamics Constant of Interaction among of Atenolol and Metoprolol with Human Serum Albumin: Spectroscopic and Molecular Modeling Approaches by Raoufi, Arastou, Ebrahimi, Mahmoud, Bozorgmehr, Mohammad Reza

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Enzyme is stabilized by a protection layer of ionic liquids in supercritical CO2: Insights from molecular dynamic simulation by Monhemi, Hassan, Housaindokht, Mohammad Reza, Bozorgmehr, Mohammad Reza, Googheri, Mohammad Sadegh Sadeghi

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Quantum Mechanical Study on the Mechanistic, Energetic, and Structural Properties of Adsorption of 6‐Thioguanine onto γ‐Fe2O3 Nanoparticles by Teymoori, Monir, Morsali, Ali, Bozorgmehr, Mohammad Reza, Beyramabadi, S. Ali

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Simultaneous detection and determination of mercury (II) and lead (II) ions through the achievement of novel functional nucleic acid-based biosensors by Khoshbin, Zahra, Housaindokht, Mohammad Reza, Verdian, Asma, Bozorgmehr, Mohammad Reza

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Investigation of the behavior of HSA upon binding to amlodipine and propranolol: Spectroscopic and molecular modeling approaches by Housaindokht, Mohammad Reza, Rouhbakhsh Zaeri, Zeinab, Bahrololoom, Mahmood, Chamani, Jamshid, Bozorgmehr, Mohammad Reza

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DFT-QTAIM Study of Gold Nanoparticles and Cyclic Peptide as Effective Drug Nanocarriers by Khoshbayan, Bahareh, Morsali, Ali, Beyramabadi, Safar Ali, Bozorgmehr, Mohammad Reza

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Structural properties of the truncated and wild types of Taka-amylase: A molecular dynamics simulation and docking study by Housaindokht, Mohammad Reza, Bozorgmehr, Mohammad Reza, Hosseini, Hossein Eshtiagh, Jalal, Razieh, Asoodeh, Ahmad, Saberi, Mahin, Haratipour, Zeinab, Monhemi, Hassan

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Flavodoxin in a binary surfactant system consisting of the nonionic 1-decanoyl-rac-glycerol and the zwitterionic lauryldimethylamine-N-oxide: Molecular dynamics simulation approach by Bazaziyan, Behnaz, Bozorgmehr, Mohammad Reza, Momen-Heravi, Mohammad, Beyramabadi, S. Ali

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Comprehensive quantum chemical insight into the mechanistic understanding of the surface functionalization of carbon nanotube as a nanocarrier with cladribine anticancer drug by Lotfi, Mina, Morsali, Ali, Bozorgmehr, Mohammad Reza

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Application of response surface modeling and chemometrics methods for the determination of Atenolol, Metoprolol and Propranolol in blood sample using dispersive liquid–liquid micro... by Raoufi, Arastou, Ebrahimi, Mahmoud, Bozorgmehr, Mohammad Reza

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How a protein can remain stable in a solvent with high content of urea: insights from molecular dynamics simulation of Candida antarctica lipase B in urea : choline chloride deep e... by Monhemi, Hassan, Housaindokht, Mohammad Reza, Moosavi-Movahedi, Ali Akbar, Bozorgmehr, Mohammad Reza

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A simple paper-based aptasensor for ultrasensitive detection of lead (II) ion by Khoshbin, Zahra, Housaindokht, Mohammad Reza, Izadyar, Mohammad, Verdian, Asma, Bozorgmehr, Mohammad Reza

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