Outputs (3)

The influence of solvent representation on nuclear shielding calculations of protonation states of small biological molecules (2018)
Journal Article
Roggatz, C. C., Lorch, M., & Benoit, D. M. (2018). The influence of solvent representation on nuclear shielding calculations of protonation states of small biological molecules. Journal of chemical theory and computation : JCTC, 14(5), 2684-2695. https://doi.org/10.1021/acs.jctc.7b01020

In this study, we assess the influence of solvation on the accuracy and reliability of isotropic nuclear magnetic shielding calculations for amino acids in comparison to experimental data. We focus particularly on the performance of solvation methods... Read More about The influence of solvent representation on nuclear shielding calculations of protonation states of small biological molecules.

Ocean acidification affects marine chemical communication by changing structure and function of peptide signalling molecules (2016)
Journal Article
Roggatz, C. C., Lorch, M., Hardege, J. D., & Benoit, D. M. (2016). Ocean acidification affects marine chemical communication by changing structure and function of peptide signalling molecules. Global change biology, 22(12), 3914-3926. https://doi.org/10.1111/gcb.13354

Ocean acidification is a global challenge that faces marine organisms in the near future with a predicted rapid drop in pH of up to 0.4 units by the end of this century. Effects of the change in ocean carbon chemistry and pH on the development, growt... Read More about Ocean acidification affects marine chemical communication by changing structure and function of peptide signalling molecules.

Characterisation of Schiff base and chromophore in green proteorhodopsin by solid-state NMR (2007)
Journal Article
Pfleger, N., Lorch, M., Woerner, A. C., Shastri, S., & Glaubitz, C. (2008). Characterisation of Schiff base and chromophore in green proteorhodopsin by solid-state NMR. Journal of Biomolecular NMR, 40(1), 15-21. https://doi.org/10.1007/s10858-007-9203-5

The proteorhodopsin family consists of hundreds of homologous retinal containing membrane proteins found in bacteria in the photic zone of the oceans. They are colour tuned to their environment and act as light-driven proton pumps with a potential en... Read More about Characterisation of Schiff base and chromophore in green proteorhodopsin by solid-state NMR.