Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Interaction of Proteins with Polyelectrolytes: A Comparison between
  Theory and Experiment   We discuss recent investigations of the interaction of polyelectrolytes with
proteins. In particular, we review our recent studies on the interaction of
simple proteins such as human serum albumin (HSA) or lysozyme with linear
polyelectrolytes, charged dendrimers, charged networks, and polyelectrolyte
brushes. In all cases discussed here we combined experimental work with
molecular dynamics (MD) simulations and mean-field theories. In particular,
isothermal titration calorimetry (ITC) has been employed to obtain the
respective binding constants Kb and the Gibbs free energy of binding.
MD-simulations with explicit counterions but implicit water demonstrate that
counterion release is the main driving force for the binding of proteins to
strongly charged polyelectrolytes: Patches of positive charges located on the
surface of the protein become a multivalent counterion of the polyelectrolyte
thereby releasing a number of counterions condensed on the polyelectrolyte. The
binding Gibbs free energy due to counterion release is predicted to scale with
the logarithm of the salt concentration in the system which is verified both by
simulations and experiment. In several cases, namely for the interaction of
proteins with linear polyelectrolytes and highly charged hydrophilic dendrimers
the binding constant could be calculated from simulations in very good
approximation. This finding demonstrated that in these cases explicit hydration
effects do not contribute to the Gibbs free energy of binding. The Gibbs free
energy can also be used to predict the kinetics of protein uptake by microgels
for a given system by applying dynamic density functional theory.

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The categories of this paper are: hep-lat
22
The categories of this paper are: chao-dyn
10
The categories of this paper are: q-bio
3
The categories of this paper are: physics
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The categories of this paper are: stat
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The categories of this paper are: math-ph
7
The categories of this paper are: hep-th
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The categories of this paper are: hep-ex
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The categories of this paper are: q-fin
31
The categories of this paper are: ao-sci
29
The categories of this paper are: funct-an
33
The categories of this paper are: plasm-ph
20
The categories of this paper are: acc-phys
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The categories of this paper are: nlin
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The categories of this paper are: hep-ph
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The categories of this paper are: cs