A study of the dynamics and structure of the dielectric anomaly within the molecular solid TEA(TCNQ)2

Autor: Adam Berlie, Ian Terry, Marek Szablewski, Mark Telling, David Apperley, Paul Hodgkinson, Dominik Zeller

Publikováno v: Physical Chemistry Chemical Physics, 2022, Vol.24(12), pp.7481-7492 [Peer Reviewed Journal]

With rising interest in organic-based functional materials, it is important to understand the nature of magnetic and electrical transitions within these types of systems. One intriguing material is triethylammonium bis-7,7,8,8-tetracyanoquinodimethan

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38a652b454aae66120835685543f1324
https://doi.org/10.1039/d2cp00142j

Differences between calcium rich and depleted alpha-lactalbumin investigated by molecular dynamics simulations and incoherent neutron scattering

Autor: Judith Peters, Pan Tan, Dominik Zeller, Victoria García Sakai, Daniele Di Bari, Liang Hong

Publikováno v: Physical Review E. 101

We present a study comparing atomic motional amplitudes in calcium rich and depleted alpha-lactalbumin. The investigations were performed by elastic incoherent neutron scattering (EINS) and molecular dynamics (MD) simulations. As the variations were

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1d2cad02b553188dccd1c19a12456b64
https://doi.org/10.1103/physreve.101.032415

Dynamics of a family of cyan fluorescent proteins probed by incoherent neutron scattering

Autor: Guillaume Gotthard, Virginia Guillon, Antoine Royant, Judith Peters, Nicolas Martinez, Maksym Golub, Michael Marek Koza, Tilo Seydel, Céline Lafaye, Dominik Zeller, Damien Clavel, David von Stetten

Publikováno v: Journal of the Royal Society Interface
Journal of the Royal Society Interface, 2019, 16 (152), pp.20180848. ⟨10.1098/rsif.2018.0848⟩
Journal of the Royal Society Interface, the Royal Society, 2019, 16 (152), pp.20180848. ⟨10.1098/rsif.2018.0848⟩

International audience; Cyan fluorescent proteins (CFPs) are variants of green fluorescent proteins in which the central tyrosine of the chromophore has been replaced by a tryptophan. The increased bulk of the chromophore within a compact protein and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::24c3e3476ed7437afcc9e4537350bcc7
https://hal.science/hal-03930641

Analysis of elastic incoherent neutron scattering data beyond the Gaussian approximation

Autor: Judith Peters, Mark T. F. Telling, Michaela Zamponi, Dominik Zeller, V García Sakai

Publikováno v: Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2018, 149 (23), pp.234908
The journal of chemical physics 149(23), 234908-(2018). doi:10.1063/1.5049938

This work addresses the use of the Gaussian approximation as a common tool to extract atomic motions in proteins from elastic incoherent neutron scattering and whether improvements in data analysis and additional information can be obtained when goin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b4a60a551f9535c748ddacc1380e1350
https://hal.archives-ouvertes.fr/hal-02001793