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Showing 1 to 2 of 2 for “"protein electrostatics"”.
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Consistent approach for calculating protein pKa's using Poisson-Boltzmann Model
Accurate prediction of protein pKa`s is important to understand protein electrostatics and functions. Improving the accuracy of pKa prediction using the Poisson-Boltzmann electrostatic model remains an active area of research. The major challenge is to determine the appropriate dielectric constant …
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A Highly Charged Topic: Intrinsically Disordered Proteins and Protein pKa Values
Intrinsically disordered proteins (IDPs) are known not only for their roles in disease but also for their conformational flexibility, which makes them elusive for experimentation. We consider the role played by theory and simulation in resolving important questions pertaining to IDP structure and …