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- W206351175 abstract "Proteins in the living cell can interact with a wide variety of solutes, ranging from other proteins, small peptides, ions, DNA, and membranes. Charged groups play a major role and solution conditions such as pH and ionic strength can modulate the interactions significantly. Describing these systems in a statistical mechanical framework envolves thousands of pair-interactions and therefore a certain amount of coarse graining is often required. We here present a conceptually simple ”meso- scopic” protein model [1] where the detailed charge distribution and sur- face topology is well preserved but is much faster than a full atomistic description. Using Monte Carlo simulations the model can be used to accurately reproduce second virial coeffients, pH titration curves and binding constants. Special attention will be given to proton fluctuations that – under certain circumstances – can give rise to an increased attrac- tion between bio-molecules [2]. References 1. Lund, M., Jonsson, B.: A Mesoscopic Model for Protein-Protein Interactions in Solution. Biophysical Journal (2003) 2. Lund, M., Jonsson, B.: On the Charge Regulation of Proteins. Biochemistry (2005)." @default.
- W206351175 created "2016-06-24" @default.
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- W206351175 date "2006-01-01" @default.
- W206351175 modified "2023-10-16" @default.
- W206351175 title "A Mesoscopic Model for Protein Interactions" @default.
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- W206351175 hasPublicationYear "2006" @default.
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