Proton transfer in the photocycle of the photoactive yellow protein

Authors	E.J.M. Leenders
Supervisors	P.G. Bolhuis
Cosupervisors	E.J. Meijer
Award date	12-09-2008
Number of pages	136
Organisations	Faculty of Science (FNWI) - Van 't Hoff Institute for Molecular Sciences (HIMS)
Document type	PhD thesis
Note	Research conducted at: Universiteit van Amsterdam
Language	English
Downloads	Thesis Cover Titlepage Contents 1 Introduction 2 Theory 3 Protonation of the chromophore in PYP 4 Solvation of p-coumaric acid in water 5 Solvation of glutamate and glutamic acid in water 6 Proton transfer and hydrogen bond rearrangements in PYP A Validation of the QMMM simulations B Validation of solvated glutamic acid / glutamate simulations C Details of the metadynamics simulations of chapter 6 Bibliography Summary Samenvatting in begrijpelijk Nederlands
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