| When a
protein-containing solution comes in contact with a materials surface,
proteins
tend to rapidly and irreversibly adsorb on the surface.
The thermodynamics and kinetics of the
adsorption processes determine a protein’s orientation and conformation
on the
surface, which, in turn, determine whether the bioactive sites of the
protein
are available to perform desired functions, such as biosignaling,
biosensing,
biocatalysis, or self-assembly.
Accordingly, the control of protein adsorption to
materials surfaces is
of fundamental importance in a broad range of applications in medical
technology, biotechnology, and nanotechnology. While
much has been learned, experimental studies conducted
over the past several decades have not provided sufficient
understanding to
enable protein adsorption behavior to be either predicted or controlled. In contrast to this, molecular
simulation methods have great potential to provide the needed
molecular-level
understanding of protein adsorption behavior. Existing
force fields and simulation methods, however, were
not developed with this application under consideration and, as a
consequence,
are not well suited for the simulation of protein adsorption to
materials
surfaces. Prof. Latour’s research
over the past seven years has focused on the evaluation and development
of molecular
modeling and supporting experimental methods that are needed to enable
protein
adsorption to be accurately simulated.
This seminar will present an overview of the work that
Prof. Latour and
coworkers have conducted in this area along with recent simulation
results. The long-range goal of
this overall program is to establish methods that can be used to guide
the
molecular-level design of materials surfaces to directly control
protein
adsorption behavior and adsorbed-state bioactivity. |
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