My talk will review recent work in my lab concerning the construction and analysis of fitness and free energy landscapes for allosteric transitions of proteins and ligand binding. I will focus mostly on sequence based approaches based on Potts Hamiltonian Models, and briefly discuss structure based approaches which employ molecular dynamics free energy simulations . Examples will be chosen from kinase family and HIV family proteins.

Exploring fitness and free energy landscapes of proteins for allostery and binding

253rd National Meeting (2017)

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