| Performing an in silico repurposing of existing drugs by combining virtual screening and molecular dynamics simulation F Sohraby, M Bagheri, H Aryapour Computational Methods for Drug Repurposing, 23-43, 2019 | 39 | 2019 |
| Rational drug repurposing for cancer by inclusion of the unbiased molecular dynamics simulation in the structure-based virtual screening approach: Challenges and breakthroughs F Sohraby, H Aryapour Seminars in Cancer Biology 68, 249-257, 2021 | 19 | 2021 |
| Advances in computational methods for ligand binding kinetics F Sohraby, A Nunes-Alves Trends in Biochemical Sciences 48 (5), 437-449, 2023 | 18 | 2023 |
| In silico drug repurposing of FDA-approved drugs to predict new inhibitors for drug resistant T315I mutant and wild-type BCR-ABL1: a virtual screening and molecular dynamics study F Sohraby, M Bagheri, M Aliyar, H Aryapour Journal of Molecular Graphics and Modelling 74, 234-240, 2017 | 17 | 2017 |
| A boosted unbiased molecular dynamics method for predicting ligands binding mechanisms: Probing the binding pathway of dasatinib to Src-kinase F Sohraby, MJ Moghadam, M Aliyar, H Aryapour Bioinformatics, 2020 | 12 | 2020 |
| Computational methods for drug repurposing F Sohraby, M Bagheri, H Aryapour Springer, 2019 | 12 | 2019 |
| Repurposing existing drugs for new AMPK activators as a strategy to extend lifespan: a computer-aided drug discovery study S Mofidifar, F Sohraby, M Bagheri, H Aryapour Biogerontology 19, 133-143, 2018 | 12 | 2018 |
| Prediction of new chromene-based inhibitors of tubulin using structure-based virtual screening and molecular dynamics simulation methods H Aryapour, M Dehdab, F Sohraby, A Bargahi Computational biology and chemistry 71, 89-97, 2017 | 12 | 2017 |
| Unraveling the unbinding pathways of SARS-CoV-2 Papain-like proteinase known inhibitors by Supervised Molecular Dynamics simulation F Sohraby, H Aryapour PLoS One 16 (5), e0251910, 2021 | 11 | 2021 |
| Application of Molecular Dynamics in Coating Ag-Conjugated Nanoparticles with Potential Therapeutic Applications MBBN F Sohraby, M Hadi Soltanabad, M Bagheri, M Bezi Javan, M Javaheri ... Nano Biomedicine and Engineering 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 |
| Reconstruction of the binding pathway of an anti-HIV drug, Indinavir, in complex with the HTLV-1 protease using unaggregated unbiased molecular dynamics simulation F Sohraby, H Aryapour Computational Biology and Chemistry 96, 107616, 2022 | 3 | 2022 |
| Comparative analysis of the unbinding pathways of antiviral drug Indinavir from HIV and HTLV1 proteases by supervised molecular dynamics simulation F Sohraby, H Aryapour Plos one 16 (9), e0257916, 2021 | 3 | 2021 |
| Characterization of the bottlenecks and pathways for inhibitor dissociation from [NiFe] hydrogenase F Sohraby, AN Alves | | 2024 |
| pH-dependence of the Plasmodium falciparum chloroquine resistance transporter is linked to the transport cycle F Berger, GM Gomez, CP Sanchez, B Posch, G Planelles, F Sohraby, ... Nature Communications 14 (1), 4234, 2023 | | 2023 |
Hassan AryapourAssociate Professor of BiochemistryE-mail confirmado em gu.ac.ir
