BLUF Hydrogen network dynamics and UV/Vis spectra: A combined molecular dynamics and quantum chemical study


Blue light sensing using flavin (BLUF) protein photoreceptor domains change their hydrogen bond network after photoexcitation. To explore this phenomenon, BLUF domains from R. sphaeroides were simulated using Amber99 molecular dynamics (MD). Five starting configurations were considered, to study different BLUF proteins (AppA/BlrB), Trp conformations ("W(in… (More)
DOI: 10.1002/jcc.23056


Figures and Tables

Sorry, we couldn't extract any figures or tables for this paper.

Slides referencing similar topics