Sitting at the edge: how biomolecules use hydrophobicity to tune their interactions and function.

  title={Sitting at the edge: how biomolecules use hydrophobicity to tune their interactions and function.},
  author={Amish J. Patel and Patrick S. Varilly and Sumanth N Jamadagni and Michael F. Hagan and David Chandler and Shekhar Garde},
  journal={The journal of physical chemistry. B},
  volume={116 8},
Water near extended hydrophobic surfaces is like that at a liquid-vapor interface, where fluctuations in water density are substantially enhanced compared to those in bulk water. Here we use molecular simulations with specialized sampling techniques to show that water density fluctuations are similarly enhanced, even near hydrophobic surfaces of complex biomolecules, situating them at the edge of a dewetting transition. Consequently, water near these surfaces is sensitive to subtle changes in… CONTINUE READING
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