Proteins exploit allostery to control the function of multimeric chaperones as well as in the regulation of transcriptional activators. The modeling of dynamical processes involved in folding, assembly and function is critical in furthering our understanding of the mechanisms by which allostery contributes to these processes. In this talk I will provide an overview of our multi-resolution and multi-scale approaches to build coarse-grained models to enable the study of a range of allosteric processes from chaperone activity to the activation of translational machinery. I will describe our efforts to build and study models that provide both thermodynamic and dynamical insights into how these systems work that are taken from recent work on pH-dependent chaperones in bacteria and modulation of transcriptional activity in human cells.

Exploring allostery from protein folding to function using coarse-grained models

253rd National Meeting (2017)

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