76 citations · 96 across the 7 of their papers we have counts for
8 papers
SCN as a Local Probe of Protein Structural Dynamics
Sena Aydin, Seyedeh Maryam Salehi, Kai Töpfer +1
The dynamics of lysozyme is probed by attaching -SCN to all alanine-residues. The 1-dimensional infrared spectra exhibit frequency shifts in the position of the maximum absorption…
Water Dynamics around T0 vs. R4 of Hemoglobin from Local Hydrophobicity Analysis
Seyedeh Maryam Salehi, Marco Pezzella, Adam Willard +2
The local hydration around tetrameric Hb in its T and R conformational substates is analyzed based on molecular dynamics simulations. Analysis of the local hydrophobicity (…
Structure, Organization and Heterogeneity of Water-Containing Deep Eutectic Solvents
Kai Töpfer, Andrea Pasti, Anuradha Das +6
The spectroscopy and structural dynamics of a deep eutectic mixture (KSCN/acetamide) with varying water content is investigated from 2D IR (with the C-N stretch vibration of the SC…
Hydration Dynamics and IR Spectroscopy of 4-Fluorophenol
Seyedeh Maryam Salehi, Silvan Käser, Kai Töpfer +5
Halogenated groups are relevant in pharmaceutical applications and potentially useful spectroscopic probes for infrared spectroscopy. In this work, the structural dynamics and infr…
Near-Optimal Distributed Degree+1 Coloring
Magnús M. Halldórsson, Fabian Kuhn, Alexandre Nolin +1
We present a new approach to randomized distributed graph coloring that is simpler and more efficient than previous ones. In particular, it allows us to tackle the $(\operatorname{…
Site-Selective Dynamics of Ligand-Free and Ligand-Bound Azidolysozyme
Seyedeh Maryam Salehi, Markus Meuwly
Azido-modified alanine residues (AlaN) are environment-sensitive, minimally invasive infrared probes for the site-specific investigation of protein structure and dynamics. Here…