I serve as a Postdoctoral Research Associate at the Ineos Oxford Institute for Antimicrobial Research and Chemistry Research Laboratory within the University of Oxford, collaborating closely with the esteemed groups led by Prof. Christopher Schofield, FRS and Prof. Fernanda Duarte.
I am a computational chemist working at the intersection of computational chemistry, chemical biology and machine learning, with a specific emphasis on driving innovations in overcoming Antimicrobial Resistance (AMR). I develop and employ state-of-the-art computational strategies to identify new active drug molecules targeting AMR and investigating their mechanisms of action. These methodologies include electronic structure methods, classical molecular modelling, hybrid quantum mechanics / molecular mechanics (QM/MM) and machine-learning techniques. Prior to my work at Oxford, I worked as a Postdoctoral Research Associate in Dr. Amanda Jarvis' group at The University of Edinburgh. I specialize in structurally modeling artificial metalloenzymes to enhance their efficiency while also innovating the design of new metalloenzymes. My approach integrates various computational techniques, spanning from molecular docking studies to hybrid QM/MM calculations. Preceding this, I earned my PhD degree in 2021 from The University of Manchester, where I worked with Dr. Richard Henchman and Prof. Samuel de Visser, FRS at Manchester Institute of Biotechnology. My research was focused on the development and implementation of algorithms to determine the reactions kinetics and stability of biomolecules.
March 2022: Started Postdoc with Prof. Christopher Schofield, FRS, at the University of Oxford, England, UK.
September 2021: Started Postdoc with Dr. Amanda Jarvis at the University of Edinburgh, Scotland, UK.
May 2021: Successfully defended my PhD dissertation without revisions, submitted my thesis, and graduated from The University of Manchester!
July 2019: My first paper from PhD work on Multiscale Cell Correlation (MCC) Theory is published!
February 2018: Started my PhD with Dr. Richard Henchman and Prof. Samuel de Visser, FRS, at The Manchester Institute of Biotechnology, The University of Manchester, UK.
August 2017: I was honored to receive the Chief Minister Merit Scholarship from the Government of Pakistan, enabling me to pursue my PhD at one of the Top 50 Universities in the world.
Hafiz Saqib Ali, Sam P. de Visser
Chemistry: A European Journal, 2024, e202304172.
Probing Ferryl Reactivity in a Nonheme Iron Oxygenase Using an Expanded Genetic Code
Florence J. Hardy, Matthew G. Quesne, Emilie F. Gérard, Jingming Zhao, Mary Ortmayer, Christopher J. Taylor, Hafiz Saqib Ali, Jeffrey W. Slater, Colin W. Levy, Derren J. Heyes, J. Martin Bollinger, Jr., Sam P. de Visser, Anthony P. Green
ACS Catalysis, 2024, 14, 11584–11590.
Catalytic Divergencies in the Mechanism of L-Arginine Hydroxylating Nonheme Iron Enzymes
Hafiz Saqib Ali, Sam P. de Visser
Frontiers in Chemistry, 2024, 12, 1-14.
Hafiz Saqib Ali, Jim Warwicker, Sam P. de Visser
ACS Catalysis, 2023, 13, 10705–10721.
Hafiz Saqib Ali, Richard Henchman
Physical Chemistry Chemical Physics, 2023, 25, 27524-27531.
Emerging Perception of Activity Cliffs: A Barief Review
UCP Journal of Science & Technology, 2024, 1, 15-29.
Sumera Zaib, Imtiaz Khan, Hafiz Saqib Ali, Muhammad Tayyab Younas, Aliya Ibrar, Abdel-Basit Al-Odayni, Abdullah A. Al-Kahtani
International Journal of Biological Macromolecules, 2024, 272, 132784.
Sumera Zaib, Nehal Rana, Hafiz Saqib Ali, Nadia Hussain, Areeba, Hanan A. Ogaly, Fatimah A.M. Al-Zahrani, Imtiaz Khan
International Journal of Biological Macromolecules, 2023, 253, 127379.
Impact of Counteranions on N-heterocyclic Carbene Gold(I)-Catalyzed Cyclization of Propargylic Amide
Hafiz Saqib Ali, Aqeel A. Hussein, Mohammed Obies
RSC Advances, 2023, 13, 2896-2902.
Hafiz Saqib Ali, Sam P. de Visser
Chemistry: A European Journal, 2022, 16, e202104167.