A boosted unbiased molecular dynamics method for predicting ligands binding mechanisms: Probing the binding pathway of dasatinib to Src-kinase F Sohraby, M Javaheri Moghadam, M Aliyar, H Aryapour Bioinformatics 36 (18), 4714-4720, 2020 | 12 | 2020 |
Application of molecular dynamics in coating Ag-conjugated nanoparticles with potential therapeutic applications F Sohraby, MH Soltanabad, M Bagheri, MB Javan, MJ Moghadam, ... Nano Biomed Eng 12 (1), 90-98, 2020 | 8 | 2020 |
In silico prediction of new inhibitors for the nucleotide pool sanitizing enzyme, MTH1, using drug repurposing F Sohraby, M Bagheri, M Javaheri Moghadam, H Aryapour Journal of Biomolecular Structure and Dynamics 36 (10), 2628-2636, 2018 | 6 | 2018 |
Complete reconstruction of dasatinib unbinding pathway from c-Src kinase by supervised molecular dynamics simulation method; assessing efficiency and trustworthiness of the method F Sohraby, M Javaheri Moghadam, M Aliyar, H Aryapour Journal of Biomolecular Structure and Dynamics 40 (23), 12535-12545, 2022 | 4 | 2022 |
Complete reconstruction of the unbinding pathway of an anticancer drug by conventional unbiased molecular dynamics simulation F Sohraby, MJ Moghadam, M Aliyar, H Aryapour BioRxiv, 2020.02. 23.961474, 2020 | 2 | 2020 |
Ultraefficient unbiased molecular dynamics simulation of protein-ligand interactions: How profound yet affordable can it be F Sohraby, H Aryapour, MJ Moghadam, M Aliyar BioRxiv, 650440, 2019 | 2 | 2019 |
Comparative study of the unbinding process of some HTLV-1 protease inhibitors using unbiased molecular dynamics simulations FN Tiyoula, H Aryapour, MJ Moghadam Plos one 17 (7), e0263200, 2022 | 1 | 2022 |
Study of the binding mechanism of dasatinib to c-Src kinase using an efficient molecular dynamics method F Sohraby, MJ Moghadam, M Aliyar, H Aryapour bioRxiv, 650440, 2019 | | 2019 |
Designing new chromene compounds with anticancer activity and studying their interaction with tubulin by molecular docking method M Javaheri Moghadam, H Aryapour, AA Dehno Khalaji Cellular and Molecular Research (Iranian Journal of Biology) 28 (2), 178-190, 2015 | | 2015 |
طراحی ترکیبات کرومنی جدید با فعالیت ضد سرطانی و بررسی چگونگی میانکنش آنها با توبولین به روش داکینگ مولکولی جواهری مقدم مصطفی, آریاپور حسن, دهنوخلجی علی اکبر پژوهش های سلولی و مولکولی (زیست شناسی ایران) 28 (2), 178-190, 2015 | | 2015 |