Computational studies of protein pK(a)s and metalloprotein reduction potentials
Protein pK(a)s and metalloprotein reduction potentials are studied with computational methodologies based on an ab initio quantum mechanics (QM) description of the protein and a linearized Poisson-Boltzmann Equation (LPBE) description of the solvent. The practical applicability of th...
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| Language: | English |
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University of Iowa
2004
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| Online Access: | https://ir.uiowa.edu/etd/121 https://ir.uiowa.edu/cgi/viewcontent.cgi?article=1306&context=etd |