Influence of dendrimer surface chemistry and pH on the binding and release pattern of chalcone studied by molecular dynamics simulations von Badalkhani‐Khamseh, Farideh, Ebrahim‐Habibi, Azadeh, Hadipour, Nasser L.

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Microstructure of dendrimers functionalized with folic acid as studied by molecular dynamics simulations von Shahini, Nasrin, Badalkhani‑Khamseh, Farideh, Hadipour, Nasser L.

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PAMAM and polyester dendrimers as favipiravir nanocarriers: a comparative study using DFT method von Bazyari-Delavar, Sekineh, Badalkhani-Khamseh, Farideh, Ebrahim-Habibi, Azadeh, Hadipour, Nasser L.

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Oxali-palladium nanoparticle synthesis, characterization, protein binding, and apoptosis induction in colorectal cancer cells von Golestannezhad, Nasim, Divsalar, Adeleh, Badalkhani-Khamseh, Farideh, Rasouli, Milad, Seyedarabi, Arefeh, Ghalandari, Behafarid, Ding, Xianting, Goli, Fatemeh, Bekeschus, Sander, Movahedi, Ali Akbar Moosavi, Moghadam, Mahboube Eslami

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Heteroatom-containing phosphoramides as carbon steel corrosion inhibitors: Density functional theory and molecular dynamics simulations von Gholivand, Khodayar, Sarmadi-Babaee, Leila, Faraghi, Mohammad, Badalkhani-Khamseh, Farideh, Fallah, Nasrin

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Theoretical study on the Al-doped biphenylene nanosheets as NO sensors von Hosseini, Mohammad Reza, Esfandiarpour, Razieh, Taghipour, Sajad, Badalkhani-Khamseh, Farideh

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Molecular Dynamics Simulation Study on the Effect of Oxali-Palladium as a Catalytic Inhibitor of Human Topoisomerase IIα von Tavakoli, Nadia, Ghalandari, Behafarid, Badalkhani-Khamseh, Farideh, Ding, Xianting, Divsalar, Adeleh

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Folic acid functionalized carbon nanotubes as pH controlled carriers of fluorouracil: Molecular dynamics simulations von Yahyavi, Mohammad, Badalkhani-Khamseh, Farideh, Hadipour, Nasser L.

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Carbon dioxide sensor device based on biphenylene nanotube: A density functional theory study von Esfandiarpour, Razieh, Zamanian, Fatemeh, Badalkhani-Khamseh, Farideh, Hosseini, Mohammad Reza

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Exploring the sensitivity of pristine and Al-doped boron nitride biphenylene nanosheets towards COx (x = 1, 2) gas using density functional theory von Badalkhani-Khamseh, Farideh, Habibzadeh, Negar, Hosseini, Mohammad Reza, Esfandiarpour, Razieh

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Adsorption behavior of pristine, Al-, and Si-doped carbon nanotubes upon 5-fluorouracil von Yahyavi, Mohammad, Badalkhani-Khamseh, Farideh, L. Hadipour, Nasser

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Exploration of phosphorene as doxorubicin nanocarrier: An atomistic view from DFT calculations and MD simulations von Esfandiarpour, Razieh, Badalkhani-Khamseh, Farideh, Hadipour, Nasser L.

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Exploring the sensitivity of pristine and Al-doped boron nitride biphenylene nanosheets towards CO (x = 1, 2) gas using density functional theory von Badalkhani-Khamseh, Farideh, Habibzadeh, Negar, Hosseini, Mohammad Reza, Esfandiarpour, Razieh

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PEGylated PAMAM dendrimers as eptifibatide nanocarriers: An atomistic view from molecular dynamics simulations von Badalkhani-Khamseh, Farideh, Ebrahim-Habibi, Azadeh, Hadipour, Nasser L., Behmanesh, Mehrdad

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Evaluation of newly synthesized phosphoramide derivatives as mild steel anti-corrosions using experimental and theoretical approaches von Gholivand, Khodayar, Faraghi, Mohammad, Mirzaei-Saatlo, Meysam, Badalkhani-Khamseh, Farideh, Salimi, Ghazaleh, Barzegari, Azam

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Protein binding and anticancer activity of two newly synthesized Schiff base platinum (II) complexes: A theoretical and experimental study von Abolhassan, Mohammad Reza, Divsalar, Adeleh, Badalkhani-khamseh, Farideh, Kheiripour, Nejat, Eslami-Moghadam, Mahboubeh, Mirzaei, Hamed

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Theoretical studies of phosphorene as a drug delivery nanocarrier for fluorouracil von Esfandiarpour, Razieh, Badalkhani-Khamseh, Farideh, Hadipour, Nasser L

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Investigation of host-guest interactions between polyester dendrimers and ibuprofen using density functional theory (DFT) von Bazyari-Delavar, Sekineh, Badalkhani-Khamseh, Farideh, Ebrahim-Habibi, Azadeh, Hadipour, Nasser L.

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Evaluation of BLG ability for binding to 5-FU and Irinotecan simultaneously under acidic condition: A spectroscopic, molecular docking and molecular dynamic simulation study von Sahebi, Unes, Gholami, Hamid, Ghalandari, Behafarid, Badalkhani-khamseh, Farideh, Nikzamir, Abdolrahim, Divsalar, Adeleh

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Complexation of nicotinic acid with first generation poly(amidoamine) dendrimers: A microscopic view from density functional theory von Badalkhani-Khamseh, Farideh, Bahrami, Aidin, Ebrahim-Habibi, Azadeh, Hadipour, Nasser L.

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