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Publisher's Note: 'Implications of short time scale dynamics on long time processes' (Struct. Dyn. 4, 061507 (2017)]
- Source :
- Structural Dynamics, Structural Dynamics, Vol 5, Iss 1, Pp 019901-019901-1 (2018)
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Abstract
- This review provides a comprehensive overview of the structural dynamics in topical gas- and condensed-phase systems on multiple length and time scales. Starting from vibrationally induced dissociation of small molecules in the gas phase, the question of vibrational and internal energy redistribution through conformational dynamics is further developed by considering coupled electron/proton transfer in a model peptide over many orders of magnitude. The influence of the surrounding solvent is probed for electron transfer to the solvent in hydrated I−. Next, the dynamics of a modified PDZ domain over many time scales is analyzed following activation of a photoswitch. The hydration dynamics around halogenated amino acid side chains and their structural dynamics in proteins are relevant for iodinated TyrB26 insulin. Binding of nitric oxide to myoglobin is a process for which experimental and computational analyses have converged to a common view which connects rebinding time scales and the underlying dynamics. Finally, rhodopsin is a paradigmatic system for multiple length- and time-scale processes for which experimental and computational methods provide valuable insights into the functional dynamics. The systems discussed here highlight that for a comprehensive understanding of how structure, flexibility, energetics, and dynamics contribute to functional dynamics, experimental studies in multiple wavelength regions and computational studies including quantum, classical, and more coarse grained levels are required.
- Subjects :
- Physics
Quantitative Biology::Biomolecules
Radiation
Scale (ratio)
Reviews
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
Condensed Matter Physics
01 natural sciences
Swiss National Center of Competence in Research: Molecular Ultrafast Science and Technology
0104 chemical sciences
lcsh:QD901-999
struct
lcsh:Crystallography
Statistical physics
0210 nano-technology
Instrumentation
Spectroscopy
Subjects
Details
- Database :
- OpenAIRE
- Journal :
- Structural Dynamics, Structural Dynamics, Vol 5, Iss 1, Pp 019901-019901-1 (2018)
- Accession number :
- edsair.doi.dedup.....9dd553ea960722ded298ebb3ed22c2c0