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DeWitt, William

Physics

2011

MS

Ensembles of hemeproteins rebinding ligands exhibit heterogeneous IR absorbance and rebinding function at cryogenic temperatures. Since IR-active vibrations and rebinding barriers couple to structural coordinates, spectral and functional heterogeneity arise from conformational heterogeneity. Modeling rebinding data as a spectrally resolved superposition of first order rate processes and employing maximum entropy regularization, protein heterogeneity is imaged as ensemble occupancy of a spectrum-function phase space. Results from myoglobin rebinding carbonmonoxide are discussed.