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We introduce a nonequilibrium molecular dynamics simulation approach, based on the generalized Langevin equation, to study vibrational energy relaxation in pump probe spectroscopy. A colored noise thermostat is used to selectively excite a set of vibration ...
Polycomb repressive complex 2 (PRC2) trimethylates histone H3 at lysine 27 to mark genes for repression. We measured the dynamics of PRC2 binding on recombinant chromatin and free DNA at the single-molecule level using total internal reflection fluorescenc ...
Transcription factors (TFs) are a family of DNA-binding proteins whose gene regulatory capabilities are of vital importance in defining the molecular state of a cell. Despite their biological significance, our understanding of TF behavior and function is s ...
Solvent molecules interact intimately with proteins and can profoundly regulate their structure and function. However, accurately and efficiently modeling protein solvation effects at the molecular level has been challenging. Here, we present a method that ...
The unique structure and dynamics of the water hydrogen (H)-bond network enable a multitude of structures and chemical reactions in both bulk solutions and at interfaces. The underlying molecular interactions between water and dissolved electrolytes, organ ...
Inorganic-organic lead-halide perovskite solar cells have reached efficiencies above 22% within a few years of research. Achieved photovoltages of >1.2 V are outstanding for a material with a bandgap of 1.6 eV - in particular considering that it is solutio ...
The 3,4-ethylenedioxythiophene (EDOT) pi-bridge is one of the most commonly used building blocks for sensitizers in dye-sensitized solar cells (DSSCs). We investigated its influence on the molecular structure, the photophysical and electrochemical properti ...
Metals containing cerium exhibit a diverse range of fascinating phenomena including heavy fermion behavior, quantum criticality, and novel states of matter such as unconventional superconductivity. The cubic system CeIn3 has attracted significant attention ...
The work presented in this thesis covers two different topics of surface science, both investigated with the scanning tunneling miscroscopy and spectroscopy at low temperatures (5~K). First, we are interested in the spectroscopic properties of physisorbed ...
Telomeres are specialized nucleoprotein structures that protect chromosome ends from DNA damage response (DDR) and DNA rearrangements. The telomeric shelterin protein TRF2 suppresses the DDR, and this function has been attributed to its abilities to trigge ...