| Adsorption behavior of 5-fluorouracil on pristine, B-, Si-, and Al-doped C60 fullerenes: A first-principles study MK Hazrati, NL Hadipour Physics Letters A 380 (7-8), 937-941, 2016 | 151 | 2016 |
| B24N24 fullerene as a carrier for 5-fluorouracil anti-cancer drug delivery: DFT studies MK Hazrati, Z Javanshir, Z Bagheri Journal of Molecular Graphics and Modelling 77, 17-24, 2017 | 150 | 2017 |
| Application of C30B15N15 heterofullerene in the isoniazid drug delivery: DFT studies MK Hazrati, Z Bagheri, A Bodaghi Physica E: Low-Dimensional Systems and Nanostructures 89, 72-76, 2017 | 65 | 2017 |
| A DFT study on the functionalization of C60 fullerene with 1, 2-benzoquinone MK Hazrati, NL Hadipour Computational and Theoretical Chemistry 1098, 63-69, 2016 | 24 | 2016 |
| Membrane adsorption enhances translocation of antimicrobial peptide buforin 2 M Khodam Hazrati, R Vácha The Journal of Physical Chemistry B 128 (35), 8469–8476, 2024 | 8 | 2024 |
| Split Membrane: A New Model to Accelerate All-Atom MD Simulation of Phospholipid Bilayers MK Hazrati, L Sukenik, R Vácha Journal of Chemical Information and Modeling 65 (2), 845-856, 2025 | 3 | 2025 |
| Multiscale Simulation of Phosphofructokinase-1 Assemblies: Capturing the Interplay between Specific and Transient Interactions MK Hazrati, T Miclot, S Timr The Journal of Physical Chemistry B 129 (47), 12098-12109, 2025 | | 2025 |