Lynn Kamerlin SC

The need to implement FAIR principles in biomolecular simulations.

Amaro RE, Åqvist J, Bahar I, ..., Zacharias M, Orozco M

Nat. Methods 22 (4) 641-645 [2025-04-00; online 2025-04-03]

Targeting MarA N-terminal domain dynamics to prevent DNA binding.

Corbella M, Moreira C, Bello-Madruga R, ..., Blair JMA, Sancho-Vaello E

Protein Sci. 34 (1) e5258 [2025-01-00; online 2024-12-11]

Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation.

Fisher G, Corbella M, Alphey MS, ..., Kamerlin SCL, da Silva RG

Nat Commun 13 (1) 7607 [2022-12-09; online 2022-12-09]

Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.

Shen R, Crean RM, Olsen KJ, ..., Kamerlin SCL, Hengge AC

Chem Sci 13 (45) 13524-13540 [2022-11-23; online 2022-10-26]

Correction to "Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases".

Crean RM, Biler M, Corbella M, ..., Hengge AC, Kamerlin SCL

Journal of the American Chemical Society 144 (22) 10091-10093 [2022-06-08; online 2022-05-24]

The N-terminal Helix-Turn-Helix Motif of Transcription Factors MarA and Rob Drives DNA Recognition.

Corbella M, Liao Q, Moreira C, ..., Kasson PM, Kamerlin SCL

J Phys Chem B 125 (25) 6791-6806 [2021-07-01; online 2021-06-17]

Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases.

Crean RM, Biler M, van der Kamp MW, Hengge AC, Kamerlin SCL

Journal of the American Chemical Society 143 (10) 3830-3845 [2021-03-17; online 2021-03-04]

Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.

Gamiz-Arco G, Gutierrez-Rus LI, Risso VA, ..., Gaucher EA, Sanchez-Ruiz JM

Nat Commun 12 (1) 380 [2021-01-15; online 2021-01-15]

Enhancing a de novo enzyme activity by computationally-focused ultra-low-throughput screening.

Risso VA, Romero-Rivera A, Gutierrez-Rus LI, ..., Sanchez-Ruiz JM, Kamerlin SCL

Chem Sci 11 (24) 6134-6148 [2020-06-28; online 2020-05-19]

Intervention strategies against COVID-19 and their estimated impact on Swedish healthcare capacity

Gardner JM, Willem L, Van Der Wijngaart W, ..., Brusselaers N, Kasson P

- - (-) - [2020-04-15; online 2020-04-15]

Short and simple sequences favored the emergence of N-helix phospho-ligand binding sites in the first enzymes.

Longo LM, Petrović D, Kamerlin SCL, Tawfik DS

Proc. Natl. Acad. Sci. U.S.A. 117 (10) 5310-5318 [2020-03-10; online 2020-02-20]

Uncovering the Role of Key Active-Site Side Chains in Catalysis: An Extended Brønsted Relationship for Substrate Deprotonation Catalyzed by Wild-Type and Variants of Triosephosphate Isomerase.

Kulkarni YS, Amyes TL, Richard JP, Kamerlin SCL

Journal of the American Chemical Society 141 (40) 16139-16150 [2019-10-09; online 2019-09-25]

Long Time-Scale Atomistic Simulations of the Structure and Dynamics of Transcription Factor-DNA Recognition.

Liao Q, Lüking M, Krüger DM, ..., Kasson PM, Lynn Kamerlin SC

J Phys Chem B 123 (17) 3576-3590 [2019-05-02; online 2019-04-18]

SciLifeLab Fellow Sebastian Deindl

Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies.

Mydy LS, Cristobal JR, Katigbak RD, ..., Richard JP, Gulick AM

Biochemistry 58 (8) 1061-1073 [2019-02-26; online 2019-01-31]