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
15 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
12 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 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 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
7 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 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
6 2023 Toward the comprehensive calculations on the relationship between 1 H, 13 C, 31 P chemical shifts, 2 J PH , 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 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)] 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 64 (10), 4231-4249, 2024
1 2024 14 th Iranian Inorganic Chemistry Conference S Salehzadeh, Y Maghsoud
1 2012 BPS2025-Uncovering mechanisms of distant compensation in protein complexes using large-scale molecular dynamics simulations S Mittal, Y Maghsoud, GA Cisneros, F Morcos
Biophysical Journal 124 (3), 62a, 2025
2025 
G Andrés CisnerosUniversity of Texas at DallasZweryfikowany adres z utdallas.edu
