All Outputs (2)

A new insight into the influence of habitat on the biochemical properties of three commercial sea cucumber species (2018)
Journal Article
González-Wangüemert, M., Roggatz, C. C., Rodrigues, M. J., Barreira, L., da Silva, M. M., & Custódio, L. (2018). A new insight into the influence of habitat on the biochemical properties of three commercial sea cucumber species. International Aquatic Research, 10(4), 361-373. https://doi.org/10.1007/s40071-018-0210-9

© 2018, The Author(s). This work makes a comparative evaluation of the biochemical profile of three sea commercial cucumber species (Holothuria mammata, H. polii and H. tubulosa) caught from different locations of the Mediterranean Sea (SE Spain). Al... Read More about A new insight into the influence of habitat on the biochemical properties of three commercial sea cucumber species.

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.