Mokhtar Ganjali Koli

Insights from molecular dynamics and DFT calculations into the interaction of 1,4-benzodiazepines with 2-hydroxypropyl-βCD in a theoretical study

Mokhtar Ganjali Koli, Rahime Eshaghi Malekshah, Hossein Hajiabadi · Scientific Reports · 2023 · 39 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

De novo antioxidant peptide design via machine learning and DFT studies

Parsa Hesamzadeh, Abdolvahab Seif, Kazem Mahmoudzadeh et al. · Scientific Reports · 2024 · 38 citations · Full text

Life Sciences, Biochemistry, Bioinformatics +17

Interactions of GF-17 derived from LL-37 antimicrobial peptide with bacterial membranes: a molecular dynamics simulation study

Hossein Aghazadeh, Mokhtar Ganjali Koli, Reza Ranjbar et al. · Journal of Computer-Aided Molecular Design · 2020 · 36 citations

Life Sciences, Biophysics, Microbiology +16

A molecular dynamic simulation study of anticancer agents and UiO-66 as a carrier in drug delivery systems

Tahereh Boroushaki, Mohammad G. Dekamin, Seyyed Majid Hashemianzadeh et al. · Journal of Molecular Graphics and Modelling · 2022 · 30 citations

Pharmacy, Molecular Pharmaceutics, Pharmaceutics +16

Molecular dynamics simulations of Oxprenolol and Propranolol in a DPPC lipid bilayer

Khaled Azizi, Mokhtar Ganjali Koli · Journal of Molecular Graphics and Modelling · 2016 · 25 citations

Natural Sciences, Biophysics, Chemistry +14