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The Hay group are interested in how biological processes – reactions and interactions – are governed by their underlying physics/physical chemistry. The main focus of this work is the role of protein dynamics and quantum mechanics during enzyme catalysis and the use of proteins and enzymes as structural and/or functional biomaterials and sensors. This work employs both experimental and theoretical approaches, with an emphasis on instrument and method development and the development of new theory and models to underpin experiment. Much of the work involves computational chemistry, often combing molecular dynamics (MD) simulations with enzyme active site density functional theory (DFT) ‘cluster’ models.
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Aoife Taylor, Shaowei Zhang,Linus O. Johannissen, Michiyo Sakuma,Robert S. Phillips, Anthony P. Green,Sam Hay, Derren J. Heyes,Nigel S. Scrutton
FEBS JOURNALno. 7 (2024): 1404-1421
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2024)
Chemical communications (Cambridge, England)no. 87 (2023): 13014-13017
Arnau Bertran,Laura Morbiato, Jack Sawyer, Chiara Dalla Torre,Derren J Heyes,Sam Hay, Christiane R Timmel,Marilena Di Valentin,Marta De Zotti,Alice M Bowen
Journal of the American Chemical Societyno. 42 (2023): 22859-22865
ACS catalysisno. 12 (2023): 8247-8261
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