Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Elske J. M. Leenders"'
Publikováno v:
Journal of Chemical Theory and Computation, 4(6), 898-907. American Chemical Society
We present molecular dynamics simulations of glutamic acid and glutamate solvated in water, using both density functional theory (DFT) and the Gromos96 force field. We focus on the microscopic aspects of the solvation−particularly on the hydrogen b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b31fb12ed124e42dc1df7504a37a5f09
https://hdl.handle.net/11245/1.295805
https://hdl.handle.net/11245/1.295805
Autor:
Ursula Rothlisberger, Evert Jan Meijer, Leonardo Guidoni, Jocelyne Vreede, Elske J. M. Leenders, Peter G. Bolhuis
Publikováno v:
The journal of Physical Chemistry. B, 111(14), 3765-3773. American Chemical Society
The photoactive yellow protein (PYP) acts as a light sensor to its bacterial host: it responds to light by changing shape. After excitation by blue light, PYP undergoes several transformations, to partially unfold into its signaling state. One of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::def14da365a0e2fde736368639ddceae
http://hdl.handle.net/11697/13025
http://hdl.handle.net/11697/13025
Publikováno v:
The journal of Physical Chemistry. B, 111(48), 13591-13599. American Chemical Society
The photoactive yellow protein (PYP) is an important model protein for many (photoactive) signaling proteins. Key steps in the PYP photocycle are the isomerization and protonation of its chromophore, p-coumaric acid (pCA). In the ground state of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fd1c64dc00823dabcdeb37479f4a7e14
Publikováno v:
Journal of Physical Chemistry B; Dec2007, Vol. 111 Issue 48, p13591-13599, 9p
Autor:
Elske J. M. Leenders, Leonardo Guidoni, Ursula Röthlisberger, Jocelyne Vreede, Peter G. Bolhuis, Evert Jan Meijer
Publikováno v:
Journal of Physical Chemistry B; Apr2007, Vol. 111 Issue 14, p3765-3773, 9p