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Hafiz Saqib Ali

Observed names: Ali, Hafiz Saqib, H. S. Ali, Hafiz Saqib Ali, Hafiz S. Ali
Observed institutions: Quaid-i-Azam University, Beijing Institute of Technology, Bahauddin Zakariya University, University of Strathclyde, Government College University, Faisalabad, University of Manchester, University of Oxford, University of Edinburgh, Tsinghua University
ORCID: 0000-0001-5770-5376
Observed ORCID: 0000-0001-5770-5376
OpenAlex ID: A5088487590
Catalytic Mechanism of Aromatic Nitration by Cytochrome P450 TxtE: Involvement of a Ferric-Peroxynitrite Intermediate
2020 · Savvas Louka, Sarah M. Barry, et al. · Journal of the American Chemical Society · 99
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Local Charge Distributions, Electric Dipole Moments, and Local Electric Fields Influence Reactivity Patterns and Guide Regioselectivities in α-Ketoglutarate-Dependent Non-heme Iron Dioxygenases
2021 · Sam P. de Visser, Gourab Mukherjee, et al. · Accounts of Chemical Research · 98
Negative catalysis / non-Bell-Evans-Polanyi reactivity by metalloenzymes: Examples from mononuclear heme and non-heme iron oxygenases
2021 · Sam P. de Visser, Yen-Ting Lin, et al. · Coordination Chemistry Reviews · 71
Electrostatic Perturbations in the Substrate‐Binding Pocket of Taurine/α‐Ketoglutarate Dioxygenase Determine its Selectivity
2021 · Hafiz Saqib Ali, Sam P. de Visser · Chemistry - A European Journal · 62
How Do Electrostatic Perturbations of the Protein Affect the Bifurcation Pathways of Substrate Hydroxylation versus Desaturation in the Nonheme Iron-Dependent Viomycin Biosynthesis Enzyme?
2021 · Hafiz Saqib Ali, Richard H. Henchman, et al. · The Journal of Physical Chemistry A · 56
How Does the Nonheme Iron Enzyme NapI React through l -Arginine Desaturation Rather Than Hydroxylation? A Quantum Mechanics/Molecular Mechanics Study
2023 · Hafiz Saqib Ali, Jim Warwicker, et al. · ACS Catalysis · 55
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Lignin Biodegradation by a Cytochrome P450 Enzyme: A Computational Study into Syringol Activation by GcoA
2020 · Hafiz Saqib Ali, Richard H. Henchman, et al. · Chemistry - A European Journal · 50
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Cross-linking of aromatic phenolate groups by cytochrome P450 enzymes: a model for the biosynthesis of vancomycin by OxyB
2020 · Hafiz Saqib Ali, Richard H. Henchman, et al. · Organic & Biomolecular Chemistry · 38
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What Determines the Selectivity of Arginine Dihydroxylation by the Nonheme Iron Enzyme OrfP?
2020 · Hafiz Saqib Ali, Richard H. Henchman, et al. · Chemistry - A European Journal · 35
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Electrostatic Perturbations from the Protein Affect C−H Bond Strengths of the Substrate and Enable Negative Catalysis in the TmpA Biosynthesis Enzyme
2021 · Yen‐Ting Lin, Hafiz Saqib Ali, et al. · Chemistry - A European Journal · 30
Using BpyAla to generate copper artificial metalloenzymes: a catalytic and structural study
2024 · E. Klemencic, R. C. Brewster, et al. · Catalysis Science & Technology · 23
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Spectroscopic, quantum chemical and molecular docking studies on 2,4-dimethoxy-1,3,5-triazine: a potent inhibitor of protein kinase CK2 for the development of breast cancer drug
2020 · Noreen Akram, Asim Mansha, et al. · Molecular Simulation · 23
How external perturbations affect the chemoselectivity of substrate activation by cytochrome P450 OleT JE
2020 · Ahmed Shahria Chowdhury, Hafiz Saqib Ali, et al. · Physical Chemistry Chemical Physics · 23
Mechanism of Oxidative Ring‐Closure as Part of the Hygromycin Biosynthesis Step by a Nonheme Iron Dioxygenase
2021 · Hafiz Saqib Ali, Richard H. Henchman, et al. · ChemCatChem · 22
A combined experimental and theoretical analysis of the solid-state supramolecular self-assembly of N-(2,4-dichlorophenyl)-1-naphthamide: Synthesis, anticholinesterase potential and molecular docking analysis
2019 · Madiha Kazmi, Aliya Ibrar, et al. · Journal of Molecular Structure · 20
Energy–entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host–guest challenge
2021 · Hafiz Saqib Ali, Arghya Chakravorty, et al. · Journal of Computer-Aided Molecular Design · 19
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Rhodanine-3-acetamide derivatives as aldose and aldehyde reductase inhibitors to treat diabetic complications: synthesis, biological evaluation, molecular docking and simulation studies
2021 · Mohsinul Mulk Bacha, Humaira Nadeem, et al. · BMC Chemistry · 19
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Entropy of Simulated Liquids Using Multiscale Cell Correlation
2019 · Hafiz Saqib Ali, Jonathan Higham, et al. · Entropy · 19
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Structure-based virtual screening of dipeptidyl peptidase 4 inhibitors and their in vitro analysis
2020 · Shafiq Ur Rahman, Hafiz Saqib Ali, et al. · Computational Biology and Chemistry · 16
Density Functional Theory Study into the Reaction Mechanism of Isonitrile Biosynthesis by the Nonheme Iron Enzyme ScoE
2021 · Hafiz Saqib Ali, Sidra Ghafoor, et al. · Topics in Catalysis · 15
Glutarate Hydroxylation by the Carbon Starvation-Induced Protein D: A Computational Study into the Stereo- and Regioselectivities of the Reaction
2021 · Sungho Bosco Han, Hafiz Saqib Ali, et al. · Inorganic Chemistry · 15
Theoretical and computational insight into the supramolecular assemblies of Schiff bases involving hydrogen bonding and C H…π interactions: Synthesis, X-ray characterization, Hirshfeld surface analysis, anticancer activity and molecular docking analysis
2021 · Hina Andleeb, Lubna Danish, et al. · Journal of Molecular Structure · 15
Probing Ferryl Reactivity in a Nonheme Iron Oxygenase Using an Expanded Genetic Code
2024 · Florence J. Hardy, Matthew G. Quesne, et al. · ACS Catalysis · 13
A mechanistic study on the gold( i )-catalyzed cyclization of propargylic amide: revealing the impact of expanded-ring N -heterocyclic carbenes
2021 · Yumiao Ma, Hafiz Saqib Ali, et al. · Catalysis Science & Technology · 13
Catalytic divergencies in the mechanism of L-arginine hydroxylating nonheme iron enzymes
2024 · Hafiz Saqib Ali, Sam P. de Visser · Frontiers in Chemistry · 12
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Works count: 78
Citation count: 1,034
H-index: 18
I10-index: 30
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