Browsing by Subject "Generalized Born"
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Article
Computational sidechain placement and protein mutagenesis with implicit solvent models
(2007)Structure prediction and computational protein design should benefit from accurate solvent models. We have applied implicit solvent models to two problems that are central to this area. First, we performed sidechain placement ...
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Article
Predicting the acid/base behavior of proteins: A constant-pH monte carlo approach with generalized born solvent
(2010)The acid/base properties of proteins are essential in biochemistry, and proton binding is a valuable reporter on electrostatic interactions. We propose a constant-pH Monte Carlo strategy to compute protonation free energies ...