Kavraki Lab

Physical and Biological Computing

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Abstract:

Protein folding refers to the process whereby a protein
assumes its intricate three-dimensional
shape. Different aspects of this problem have
attracted much attention in the last decade. Both
experimental and computational methods have been used
to study protein folding and there has been
considerable progress This chapter reviews a class of
methods for studying protein folding called roadmap
methods. These methods are relatively new and are
still under active development. Roadmap methods are
computational methods that have been developed to
understand the process or the mechanism by which a
protein folds or unfolds. It is typically assumed
that the folded state is already known. Note that
this is not a comprehensive survey of all existing
computational protein folding methods. In particular,
it does not cover Molecular Dynamics (MD) methods,
Monte Carlo methods (MC), the use of coarse grain
models in simulations and many others.