We developled coarse grained models to study a few flexible biomolecular recognition processes involving the binding-folding dynamics.  We explored the underlying energy landscape and found binding can proceed before folding for some flexible recognitions. This can help for efficiency and specificity of binding. We also developed coarse grained models for allosteric conformational changes and applied to a few cases. We explored the underlying energy landscapes and found that conformational changes can sometimes proceed in more than one pathways.

Landscape of binding-folding and conformational changes

239th National Meeting (2010)

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