Proteins in Ionic Liquids: Reactions, Applications and Futures (2019)
Journal Article
Schindl, A., Hagen, M. L., Muzammal, S., Gunasekera, H. A., & Croft, A. K. (2019). Proteins in Ionic Liquids: Reactions, Applications and Futures. Frontiers in Chemistry, 7, Article 347. https://doi.org/10.3389/fchem.2019.00347

Biopolymer processing and handling is greatly facilitated by the use of ionic liquids, given the increased solubility, and in some
cases, structural stability imparted to these molecules. Focussing on proteins, we highlight here not just the key dri... Read More about Proteins in Ionic Liquids: Reactions, Applications and Futures.

Ammonium Complexes of Orthoester Cryptands Are Inherently Dynamic and Adaptive (2019)
Journal Article
Wang, X., Shyshov, O., Hanževački, M., Jäger, C. M., & Von Delius, M. (2019). Ammonium Complexes of Orthoester Cryptands Are Inherently Dynamic and Adaptive. Journal of the American Chemical Society, 141(22), 8868-8876. https://doi.org/10.1021/jacs.9b01350

© 2019 American Chemical Society. Fluxional chemical species such as bullvalene have been a valuable source of inspiration and fundamental insight into the nature of chemical bonds. A supramolecular analogue of bullvalene, i.e., a "fluxional host-gue... Read More about Ammonium Complexes of Orthoester Cryptands Are Inherently Dynamic and Adaptive.

Revealing solvent-dependent folding behaviour of mycolic acids from Mycobacterium tuberculosis by advanced simulation analysis (2019)
Journal Article
Groenewald, W., Parra-Cruz, R. A., Jäger, C. M., & Croft, A. K. (2019). Revealing solvent-dependent folding behaviour of mycolic acids from Mycobacterium tuberculosis by advanced simulation analysis. Journal of Molecular Modeling, 25(3), Article 68. https://doi.org/10.1007/s00894-019-3943-5

Mycobacterium tuberculosis remains a persistent pathogen, partly due to its lipid rich cell wall, of which mycolic acids (MAs) are a major component. The fluidity and conformational flexibilities of different MAs in the bacterial cell wall significan... Read More about Revealing solvent-dependent folding behaviour of mycolic acids from Mycobacterium tuberculosis by advanced simulation analysis.

Revealing solvent-dependent folding behavior of mycolic acids from Mycobacterium tuberculosis by advanced simulation analysis (2019)
Journal Article
Groenewald, W., Parra Cruz, R., Jaeger, C., & Croft, A. (2019). Revealing solvent-dependent folding behavior of mycolic acids from Mycobacterium tuberculosis by advanced simulation analysis. Journal of Molecular Modeling, 25, 1-12. https://doi.org/10.1007/s00894-019-3943-5

Mycobacterium tuberculosis remains a persistent pathogen, partly due to its lipid rich cell wall, of which mycolic acids (MAs) are a major component. The fluidity and conformational flexibilities of different MAs in the bacterial cell wall significan... Read More about Revealing solvent-dependent folding behavior of mycolic acids from Mycobacterium tuberculosis by advanced simulation analysis.

Radical Stabilization Energies for Enzyme Engineering: Tackling the Substrate Scope of the Radical Enzyme QueE (2019)
Journal Article
Suess, C. J., Martins, F. L., Croft, A. K., & Jäger, C. M. (2019). Radical Stabilization Energies for Enzyme Engineering: Tackling the Substrate Scope of the Radical Enzyme QueE. Journal of Chemical Information and Modeling, https://doi.org/10.1021/acs.jcim.9b00017

© 2019 American Chemical Society. Experimental assessment of catalytic reaction mechanisms and profiles of radical enzymes can be severely challenging due to the reactive nature of the intermediates and sensitivity of cofactors such as iron-sulfur cl... Read More about Radical Stabilization Energies for Enzyme Engineering: Tackling the Substrate Scope of the Radical Enzyme QueE.