The significant effect of electron donating and electron withdrawing substituents on nature and strength of an intermolecular Se⋯ π interaction. A theoretical study M Saberinasab, S Salehzadeh, Y Maghsoud, M Bayat Computational and Theoretical Chemistry 1078, 9-15, 2016 | 22 | 2016 |
Relations between structural and luminescence properties of novel lanthanide nitrate complexes with bis-phosphoramidate ligands K Gholivand, M Hosseini, Y Maghsoud, J Valenta, AA Ebrahimi Valmuzi, ... Inorganic Chemistry 58 (9), 5630-5645, 2019 | 18 | 2019 |
Computational characterization of the inhibition mechanism of xanthine oxidoreductase by topiroxostat Y Maghsoud, C Dong, GA Cisneros ACS catalysis 13 (9), 6023-6043, 2023 | 14 | 2023 |
Computational investigation of a series of small molecules as potential compounds for lysyl hydroxylase-2 (LH2) inhibition Y Maghsoud, EA Vázquez-Montelongo, X Yang, C Liu, Z Jing, J Lee, ... Journal of chemical information and modeling 63 (3), 986-1001, 2023 | 12 | 2023 |
Leveraging QM/MM and Molecular Dynamics Simulations to Decipher the Reaction Mechanism of the Cas9 HNH Domain to Investigate off-Target Effects Y Maghsoud, VM Jayasinghe-Arachchige, P Kumari, GA Cisneros, J Liu Journal of Chemical Information and Modeling 63 (21), 6834-6850, 2023 | 11 | 2023 |
Impact of remdesivir incorporation along the primer strand on SARS-CoV-2 RNA-Dependent RNA polymerase S Naseem-Khan, MB Berger, EM Leddin, Y Maghsoud, GA Cisneros Journal of chemical information and modeling 62 (10), 2456-2465, 2022 | 11 | 2022 |
Investigation of the Inhibition Mechanism of Xanthine Oxidoreductase by Oxipurinol: A Computational Study Y Maghsoud, C Dong, GA Cisneros Journal of Chemical Information and Modeling 63 (13), 4190-4206, 2023 | 9 | 2023 |
Synthesis, characterization, crystal structures, Hirshfeld surface analysis and theoretical calculations of some new bisphosphoramidate derivatives and novel binuclear … K Gholivand, M Azadbakht, Y Maghsoud, M Hosseini, C Kazak Journal of Organometallic Chemistry 879, 27-39, 2019 | 9 | 2019 |
A theoretical study on 1H/13C/31P NMR chemical shifts, and the correlation between 2JP–H and the electronic structure of different phosphoryl benzamide derivatives K Gholivand, Y Maghsoud, M Hosseini, M Kahnouji Journal of Molecular Structure 1183, 230-240, 2019 | 8 | 2019 |
A theoretical study on the coordination behavior of some phosphoryl, carbonyl and sulfoxide derivatives in lanthanide complexation K Gholivand, M Kahnouji, Y Maghsoud, E Masumian, M Hosseini Journal of Molecular Modeling 24, 1-16, 2018 | 7 | 2018 |
Toward the comprehensive calculations on the relationship between 1H, 13C, 31P chemical shifts, 2JPH, and the bonding structure of different phosphoryl … K Gholivand, Y Maghsoud, M Hosseini, M Kahnouji Magnetic Resonance in Chemistry 57 (4), S108-S116, 2019 | 6 | 2019 |
Synthesis, structure, computational and catalytic activities of palladium complexes containing hydrazide based amino-phosphine ligands K Gholivand, M Kahnouji, Y Maghsoud, M Hosseini, SM Roe Journal of Organometallic Chemistry 880, 281-292, 2019 | 6 | 2019 |
Unleashing the Potential of 1, 3-Diketone Analogues as Selective LH2 Inhibitors J Lee, H Guo, S Wang, Y Maghsoud, EA Vázquez-Montelongo, Z Jing, ... ACS Medicinal Chemistry Letters 14 (10), 1396-1403, 2023 | 5 | 2023 |
Platinum (II) complexes containing hydrazide‐based aminophosphine ligands: Synthesis, molecular structures, computational investigation and evaluation as antitumour agents K Gholivand, Y Maghsoud, M Kahnouji, M Hosseini, M Satari, ... Applied Organometallic Chemistry 33 (6), e4873, 2019 | 5 | 2019 |
Comparison of the selectivity of [M(12-Crown-4)] (MLi, Na, K) complexes for halide anions and some neutral molecules; a computational study F Dastineh, S Salehzadeh, M Bayat, Y Maghsoud Journal of Theoretical and Computational Chemistry 14 (08), 1550057, 2015 | 4 | 2015 |
Manganese (II) complexes containing carbacylamidophosphate ligands: Synthesis, molecular structures and computational investigation F Ghaziani, F Afshar, Y Maghsoud, K Gholivand Journal of Molecular Structure 1181, 61-70, 2019 | 3 | 2019 |
1, 3-diketone analogs as selective lysyl hydroxylase 2 (LH2) antagonists J Lee, H Guo, Y Maghsoud, EA Vázquez-Montelongo, Z Jing, S Wang, ... SSRN, 2023 | 2 | 2023 |
Effects of the Y432S Cancer-Associated Variant on the Reaction Mechanism of Human DNA Polymerase κ Y Maghsoud, A Roy, EM Leddin, GA Cisneros Journal of Chemical Information and Modeling, 2024 | 1 | 2024 |
New insights into gold nanoparticles in virology: A review of their applications in the prevention, detection, and treatment of viral infections H Teimouri, S Taheri, FE Saidabad, G Nakazato, Y Maghsoud, A Babaei Biomedicine & Pharmacotherapy 183, 117844, 2025 | | 2025 |
Computational Studies on the Functional and Structural Impact of Pathogenic Mutations in Enzymes UC Dissanayake, A Roy, Y Maghsoud, S Polara, T Debnath, GA Cisneros | | 2024 |