Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Dynamical transition, hydrophobic interface, and the temperature
  dependence of electrostatic fluctuations in proteins   Molecular dynamics simulations have revealed a dramatic increase, with
increasing temperature, of the amplitude of electrostatic fluctuations caused
by water at the active site of metalloprotein plastocyanin. The increased
breadth of electrostatic fluctuations, expressed in terms of the reorganization
energy of changing the redox state of the protein, is related to the formation
of the hydrophobic protein/water interface allowing large-amplitude collective
fluctuations of the water density in the protein's first solvation shell. On
the top of the monotonic increase of the reorganization energy with increasing
temperature, we have observed a spike at 220 K also accompanied by a
significant slowing of the exponential collective Stokes shift dynamics. In
contrast to the local density fluctuations of the hydration-shell waters, these
spikes might be related to the global property of the water solvent crossing
the Widom line.

2
The categories of this paper are: math
15
The categories of this paper are: nucl-ex
17
The categories of this paper are: q-fin
7
The categories of this paper are: hep-th
31
The categories of this paper are: ao-sci
19
The categories of this paper are: eess
29
The categories of this paper are: funct-an
35
The categories of this paper are: mtrl-th
6
The categories of this paper are: astro-ph
26
The categories of this paper are: bayes-an
8
The categories of this paper are: hep-ex
9
The categories of this paper are: nlin
30
The categories of this paper are: q-alg
36
The categories of this paper are: cmp-lg
12
The categories of this paper are: nucl-th
11
The categories of this paper are: hep-lat