Lynn Kamerlin

Key publications

Kulkarni, Q. Liao, F. Byléhn, T. Amyes, J. Richard and S. C. L. Kamerlin. The role of ligand- driven conformational changes in enzyme catalysis: Modeling the reactivity of the catalytic cage of triosephosphate isomerase. J. Am. Chem. Soc. 140 (2018), 3854. DOI: 10.1021/jacs.8b00251.

M. Purg, M. Elias and S. C. L. Kamerlin. Similar active sites and mechanisms do not lead to cross-promiscuity in organophosphate hydrolysis: Implications for biotherapeutic engineering. J. Am. Chem. Soc. 139 (2017), 17533. DOI: 10.1021/jacs.7b09384.

Q. Liao, A. Pabis, B. Strodel and S. C. L. Kamerlin. Extending the non-bonded cationic dummy model to account for ion-induced dipole interactions. J. Phys. Chem. Lett. 8 (2017), 5408. DOI: 10.1021/acs.jpclett.7b02358.

Y. Kulkarni, Q. Liao, D. Petrovi S. C. L. Kamerlin. Enzyme architecture: Modeling the operation of a hydrophobic clamp in catalysis by triosephosphate isomerase. J. Am. Chem. Soc. 139 (2017), 10514. JACS Spotlight Article. DOI: 10.1021/jacs.7b05576.

V. Risso, S. Martinez-Rodriguez, A. Candel, D. Krüger, D. Pantoja-Uceda, M. Ortega-Muñoz, F. Santoyo-Gonzalez, E. Gaucher, S. C. L. Kamerlin, M. Bruiz, A. Gavira and J. M. Sanchez-Ruiz. De novo active sites for resurrected Precambrian enzymes. Nature Commun. 8 (2017), 16113. DOI: 10.1038/ncomms16113.

Research Interests

Research in the Kamerlin lab is highly interdisciplinary, spanning a range of topics from computational biology to mechanistic organic chemistry. Our main focus is on using a range of computational techniques to understand the mechanistic basis for complex biological problems. Particular problems of current interest include understanding catalytic promiscuity and the evolution of protein function, the redesign of enzymes for controlled chiral catalysis, and understanding epigenetic modifications in DNA. We are also greatly interested in understanding the mechanism and reactivity of phosphate, sulfated, and related group transfer reactions. All computational work is performed in direct collaboration with leading experimental and computational colleagues, with expertise in experimental enzymology, structural and molecular biology, and machine learning approaches.

Group members 

Lynn Kamerlin (group leader)
Qinghua Liao (post doc)
Dusan Petrovic (post doc)
Kshatresh Dutta Dubey (post doc)
Miha Purg (PhD student)
Klaudia Szeler (PhD student)
Yashraj Kulkarni (PhD student)
Malin Lüking (PhD student)
For a full list, see the Kamerlin Lab homepage


Last updated: 2022-11-30

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