Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases
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Published in Journal of the American Chemical Society (17.03.2021)
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Catalysis by dihydrofolate reductase and other enzymes arises from electrostatic preorganization, not conformational motions
Adamczyk, Andrew J, Cao, Jie, Kamerlin, Shina C. L, Warshel, Arieh
Published in Proceedings of the National Academy of Sciences - PNAS (23.08.2011)
Published in Proceedings of the National Academy of Sciences - PNAS (23.08.2011)
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Published in Nature communications (09.12.2022)
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Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases
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Published in Chemical science (Cambridge) (23.11.2022)
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The evolution of multiple active site configurations in a designed enzyme
Hong, Nan-Sook, Petrović, Dušan, Lee, Richmond, Gryn’ova, Ganna, Purg, Miha, Saunders, Jake, Bauer, Paul, Carr, Paul D., Lin, Ching-Yeh, Mabbitt, Peter D., Zhang, William, Altamore, Timothy, Easton, Chris, Coote, Michelle L., Kamerlin, Shina C. L., Jackson, Colin J.
Published in Nature communications (25.09.2018)
Published in Nature communications (25.09.2018)
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Why nature really chose phosphate
Kamerlin, Shina C. L., Sharma, Pankaz K., Prasad, Ram B., Warshel, Arieh
Published in Quarterly reviews of biophysics (01.02.2013)
Published in Quarterly reviews of biophysics (01.02.2013)
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Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase
Gamiz-Arco, Gloria, Gutierrez-Rus, Luis I., Risso, Valeria A., Ibarra-Molero, Beatriz, Hoshino, Yosuke, Petrović, Dušan, Justicia, Jose, Cuerva, Juan Manuel, Romero-Rivera, Adrian, Seelig, Burckhard, Gavira, Jose A., Kamerlin, Shina C. L., Gaucher, Eric A., Sanchez-Ruiz, Jose M.
Published in Nature communications (15.01.2021)
Published in Nature communications (15.01.2021)
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Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine
Repič, Matej, Vianello, Robert, Purg, Miha, Duarte, Fernanda, Bauer, Paul, Kamerlin, Shina C. L., Mavri, Janez
Published in Proteins, structure, function, and bioinformatics (01.12.2014)
Published in Proteins, structure, function, and bioinformatics (01.12.2014)
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Harnessing Conformational Plasticity to Generate Designer Enzymes
Crean, Rory M, Gardner, Jasmine M, Kamerlin, Shina C. L
Published in Journal of the American Chemical Society (01.07.2020)
Published in Journal of the American Chemical Society (01.07.2020)
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Sequence - dynamics - function relationships in protein tyrosine phosphatases
Crean, Rory M, Corbella, Marina, Calixto, Ana R, Hengge, Alvan C, Kamerlin, Shina C L
Published in QRB discovery (2024)
Published in QRB discovery (2024)
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Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases
Shen, Ruidan, Crean, Rory M, Johnson, Sean J, Kamerlin, Shina C L, Hengge, Alvan C
Published in JACS Au (24.05.2021)
Published in JACS Au (24.05.2021)
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Cellular Polyamines Promote Amyloid-Beta (Aβ) Peptide Fibrillation and Modulate the Aggregation Pathways
Luo, Jinghui, Yu, Chien-Hung, Yu, Huixin, Borstnar, Rok, Kamerlin, Shina C. L, Gräslund, Astrid, Abrahams, Jan Pieter, Wärmländer, Sebastian K. T. S
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Published in ACS chemical neuroscience (20.03.2013)
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