Journal
PHYSICAL REVIEW LETTERS
Volume 111, Issue 21, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.111.218101
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Funding
- German Academy of Sciences Leopoldina
- Cluster of Excellence RESOLV [EXC 1069]
- Deutsche Forschungsgemeinschaft
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Using molecular dynamics simulations, we analyze collective vibrations in the hydration water of a small globular protein. We develop tools that allow spatial resolution of correlated protein and water motion, and use them to reveal correlated vibrations that extend up to 10 angstrom from the protein surface at far-infrared/THz frequencies that are sensitive to the chemical properties of the protein surface. Our results provide the first detailed description of long-range effects on protein hydration water dynamics and highlight the differences between single particle and collective dynamics, which are relevant in interpreting experimental observations.
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