Free-energy barrier for escape of water molecules from protein hydration layer

8 Free-energy barrier for escape of water molecules from protein hydration layer 

The enormous importance of the protein hydration layer is the reason for the continued study and discussions of this topic over the last half century. It has also led to controversy and confusion, to an extent that one is reminded of the story of the 

As discussed in Chapter 8, several experimental studies have detected an ultra-slow (ranging from a few hundred picoseconds to few tens of nanoseconds) component in the SD of an external probe, both in proteins and in self-assembly (diseussed later). Theoretical and computer simulation studies of HB lifetime 

In the present chapter we discussed quantitative aspects of protein hydration-layer dynamics. Because of the complexity of the problem and perhaps due to a certain lack of concerted effort, there are still many issues remained to be settled. 

Gu and B. P. Schoenbom, Molecular dynamics simulation of hydration in myoglobin. 

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S. Roy and B. Bagchi, Free energy barriers for escape of water molecules from protein hydration layer. J. Phys. Chem. B, 116 (2012), 2958-2968. 

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