Zobrazeno 1 - 10
of 78
pro vyhledávání: '"K Grotz"'
Autor:
Antje K. Grotz, Fernando Abaitua, Elena Navarro-Guerrero, Benoit Hastoy, Daniel Ebner, Anna L. Gloyn
Publikováno v:
Wellcome Open Research, Vol 4 (2019)
Type 2 diabetes (T2D) is a global pandemic with a strong genetic component, but most causal genes influencing the disease risk remain unknown. It is clear, however, that the pancreatic beta cell is central to T2D pathogenesis. In vitro gene-knockout
Externí odkaz:
https://doaj.org/article/7dd9e9fea667481d8c9dd3c7907d6e1b
Autor:
Kara K. Grotz, Nadine Schwierz
Publikováno v:
The Journal of Chemical Physics
Magnesium plays a vital role in a large variety of biological processes. To model such processes by molecular dynamics simulations, researchers rely on accurate force field parameters for Mg2+ and water. OPC is one of the most promising water models
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ab1dc4d21bd4ea95df0bf6d0aa8a3069
https://pubmed.ncbi.nlm.nih.gov/35317575
https://pubmed.ncbi.nlm.nih.gov/35317575
Publikováno v:
The Journal of Chemical Physics
Magnesium and calcium play an essential role in the folding and function of nucleic acids. To correctly describe their interactions with DNA and RNA in biomolecular simulations, an accurate parameterization is crucial. In most cases, the ion paramete
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c78149c7cda00ae5776c3f21fae385e7
https://hdl.handle.net/21.11116/0000-0008-7E2E-9
https://hdl.handle.net/21.11116/0000-0008-7E2E-9
Publikováno v:
Journal of Chemical Theory and Computation
Magnesium ions play an essential role in many vital processes. To correctly describe their interactions in molecular dynamics simulations, an accurate parametrization is crucial. Despite the importance and considerable scientific effort, current forc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a54bf67596bc1eda6fb84a254eff8fb6
https://opus.bibliothek.uni-augsburg.de/opus4/frontdoor/index/index/docId/94191
https://opus.bibliothek.uni-augsburg.de/opus4/frontdoor/index/index/docId/94191
Autor:
Kara K. Grotz, Nadine Schwierz
Publikováno v:
Journal of Chemical Theory and Computation
Magnesium is essential in many vital processes. To correctly describe Mg2+ in physiological processes by molecular dynamics simulations, accurate force fields are fundamental. Despite the importance, force fields based on the commonly used 12-6 Lenna
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::064b48751e39516baa3a722c75a51fdf
https://opus.bibliothek.uni-augsburg.de/opus4/files/94187/acs.jctc.1c00791.pdf
https://opus.bibliothek.uni-augsburg.de/opus4/files/94187/acs.jctc.1c00791.pdf
Autor:
K. Grotz, H. V. Klapdor
Publikováno v:
The Weak Interaction in Nuclear, Particle and Astrophysics ISBN: 9781351077248
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d56fceb8e5444f0f935534eb10ec7e5
https://doi.org/10.1201/9781003069546-8
https://doi.org/10.1201/9781003069546-8
Autor:
Mark F. Nueesch, Marcel Heinz, Kara K. Grotz, Lukas S. Stelzl, Gerhard Hummer, Benjamin Schuler, Erik D. Holmstrom
Publikováno v:
The Journal of Physical Chemistry B. 122:11626-11639
We combine single-molecule Forster resonance energy transfer (single-molecule FRET) experiments with extensive all-atom molecular dynamics (MD) simulations (>100 μs) to characterize the conformational ensembles of single-stranded (ss) DNA and RNA in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fb594ef05a9f7a8c1282a92088ed82ef
https://doi.org/10.1021/acs.jpcb.8b07537
https://doi.org/10.1021/acs.jpcb.8b07537