Abstract
Explicit solvent fully atomistic molecular dynamics simulations of chymotrypsin 2 in concentrated protein solutions are described to better understand the role of protein-protein interactions in crowded cellular environments. The effect of protein crowding on protein stability and self-diffusion is discussed and compared with experimental data. An energetic analysis is presented to quantitatively analyze the components of the free energy of crowding, i.e. the transfer free energy between dilute solvent and crowded environments.
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