Interactions of GF-17 derived from LL-37 antimicrobial peptide with bacterial membranes: a molecular dynamics simulation study H Aghazadeh, M Ganjali Koli, R Ranjbar, KP Bagheri Journal of Computer-Aided Molecular Design, 1-13, 2020 | 23 | 2020 |
Molecular dynamics simulations of Oxprenolol and Propranolol in a DPPC lipid bilayer K Azizi, M Ganjali Koli Journal of Molecular Graphics and Modelling 64, 153-164, 2016 | 22 | 2016 |
A molecular dynamic simulation study of anticancer agents and UiO-66 as a carrier in drug delivery systems T Boroushaki, MG Dekamin, SM Hashemianzadeh, MR Naimi-Jamal, ... Journal of Molecular Graphics and Modelling 113, 108147, 2022 | 18 | 2022 |
A detailed computational study on binding of kinase inhibitors into β-cyclodextrin: inclusion complex formation M Faraj Pour Mojdehi, M Ganjali Koli, MDO Bolagh, MG Gardeh, ... Molecular Systems Design & Engineering, 2021 | 17 | 2021 |
The partition and transport behavior of cytotoxic ionic liquids (ILs) through the DPPC bilayer: Insights from molecular dynamics simulation M Ganjali Koli, K Azizi Molecular Membrane Biology 33 (3-5), 64-75, 2017 | 16 | 2017 |
Investigation of glutathione as a natural antioxidant and multitarget inhibitor for Alzheimer’s disease: Insights from molecular simulations S Roosta, SM Hashemianzadeh, M Ganjali Koli Journal of Molecular Liquids 344, 117960, 2021 | 13 | 2021 |
Investigation of benzodiazepines (BZDs) in a DPPC lipid bilayer: Insights from molecular dynamics simulation and DFT calculations M Ganjali Koli, K Azizi Journal of Molecular Graphics and Modelling 90, 171-179, 2019 | 11 | 2019 |
Insights from molecular dynamics and DFT calculations into the interaction of 1, 4-benzodiazepines with 2-hydroxypropyl-βCD in a theoretical study M Ganjali Koli, R Eshaghi Malekshah, H Hajiabadi Scientific Reports 13 (1), 9866, 2023 | 9 | 2023 |
Elucidating anticancer drugs release from UiO-66 as a carrier through the computational approaches T Boroushaki, M Ganjali Koli, RE Malekshah, MG Dekamin RSC Advances 13 (45), 31897-31907, 2023 | 3 | 2023 |
Exploring the role of cyclodextrins as a cholesterol scavenger: A molecular dynamics investigation of conformational changes and thermodynamics M Ganjali Koli, F Fogolari Scientific Reports 13 (1), 21765, 2023 | 2 | 2023 |
Unveiling the dynamic and thermodynamic interactions of hydrocortisone with β-cyclodextrin and its methylated derivatives through insights from molecular dynamics simulations R Gholami, K Azizi, M Ganjali Koli Scientific Reports 14 (1), 12495, 2024 | | 2024 |
De novo antioxidant peptide design via machine learning and DFT studies P Hesamzadeh, A Seif, K Mahmoudzadeh, M Ganjali Koli, ... Scientific Reports 14 (1), 6473, 2024 | | 2024 |
Structural and thermodynamic properties of argon liquid as a square-well fluid based on a modification of the ORPA theory H Nikoofard, H Hassanabadi, M Ganjali Koli Physics and Chemistry of Liquids 53 (6), 685-695, 2015 | | 2015 |