Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Stefanie, Kieninger"'
Autor:
Lin Li, Tony Stüker, Stefanie Kieninger, Dirk Andrae, Tobias Schlöder, Yu Gong, Lester Andrews, Helmut Beckers, Sebastian Riedel
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-6 (2018)
While transition metal complexes bearing terminal oxido ligands are common, those of group 11 elements have yet to be experimentally observed. Here, Riedel and colleagues synthesise molecular oxygen fluorides of copper, silver and gold, and show that
Externí odkaz:
https://doaj.org/article/f190948839204e2bb4a032cc26c93302
Autor:
Minh, Nguyen Trung, Stefanie, Kieninger, Zeinab, Fandi, Danye, Qiu, Guizhen, Liu, Neelay K, Mehendale, Adolfo, Saiardi, Henning, Jessen, Bettina, Keller, Dorothea, Fiedler
Publikováno v:
ACS central science. 8(12)
The water-soluble inositol phosphates (InsPs) represent a functionally diverse group of small-molecule messengers involved in a myriad of cellular processes. Despite their centrality, our understanding of human InsP metabolism is incomplete because t
Autor:
Minh Nguyen Trung, Stefanie Kieninger, Zeinab Fandi, Danye Qiu, Guizhen Liu, Adolfo Saiardi, Henning Jessen, Bettina Keller, Dorothea Fiedler
The water-soluble inositol phosphates (InsPs) represent a functionally diverse group of small-molecule messengers central to a myriad of cellular processes. However, we have an incomplete understanding of InsP metabolism because the available analyti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::15b1a3db26379c749da7324aa138b60c
https://doi.org/10.1101/2022.08.29.505671
https://doi.org/10.1101/2022.08.29.505671
Autor:
Bettina G. Keller, Stefanie Kieninger
Two of the most widely used Langevin integrators for molecular dynamics simulations are the GROMACS Stochastic Dynamics (GSD) integrator and the splitting method BAOAB. In this letter, we show that the GROMACS Stochastic Dynamics integrator is equal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d28e10d5dc8f0178a6e521db3e5f7e1a
Autor:
Stefanie Kieninger, Bettina G. Keller
Path reweighting is a principally exact method to estimate dynamic properties from biased simulations - provided that the path probability ratio matches the stochastic integrator used in the simulation. Previously reported path probability ratios mat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2da3ff63df97d7c2a89df9920ef5664
Autor:
Stefanie Kieninger, Lin Li, Dirk Andrae, Lester Andrews, Helmut Beckers, Tony Stüker, Tobias Schlöder, Yu Gong, Sebastian Riedel
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-6 (2018)
Nature Communications
Nature Communications
Transition metal complexes bearing terminal oxido ligands are quite common, yet group 11 terminal oxo complexes remain elusive. Here we show that excited coinage metal atoms M (M = Au, Ag, Cu) react with OF2 to form hypofluorites FOMF and group 11 ox
Publikováno v:
Current opinion in structural biology. 61
Conformational dynamics is essential to biomolecular processes. Markov State Models (MSMs) are widely used to elucidate dynamic properties of molecular systems from unbiased Molecular Dynamics (MD). However, the implementation of reweighting schemes
Autor:
Stefanie Kieninger, Tobias Schloeder, Sebastian Riedel, Felix Brosi, Helmut Beckers, Thomas Vent‐Schmidt
Publikováno v:
ChemInform. 47
Autor:
Thomas Vent-Schmidt, Felix Brosi, Stefanie Kieninger, Sebastian Riedel, Tobias Schlöder, Helmut Beckers
Publikováno v:
Chemistry (Weinheim an der Bergstrasse, Germany). 21(46)
The use of neat fluorine in matrix isolation is reported, as well as the formation of polyfluoride monoanions under cryogenic conditions. Purification procedures and spectroscopic data of fluorine are described, and matrix shifts of selected molecule