Phytochrome QM/MM simulation data
收藏DataCite Commons2024-11-15 更新2025-04-16 收录
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https://etsin.fairdata.fi/dataset/edad9091-c7ae-4c9b-b7c5-632b0e3399dd
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资源简介：
Classical MM and QM/MM MD trajectories of the CBD and CBD-Phy proteins. The data for the CBD-Phy protein was used in the following papers:
The photocycle of bacteriophytochrome is initiated by counterclockwise chromophore isomerization
D Morozov, V Modi, V Mironov, G Groenhof
The Journal of Physical Chemistry Letters 13 (20), 4538-4542
Protonation of the biliverdin IXα chromophore in the red and far-red photoactive states of a bacteriophytochrome
V Modi, S Donnini, G Groenhof, D Morozov
The Journal of Physical Chemistry B 123 (10), 2325-2334
In addition to trajectories, the archive also contains topologies and simulation parameter files.
提供机构：
Gerrit Groenhof
创建时间：
2024-11-15
