Accurate PKa Computation Using Matched Interface and Boundary (MIB) Method Based Poisson-Boltzmann Solver
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DOI: 10.4208/cicp.oa-2017-0078
Abstract: The pKa values are important quantities characterizing the ability of protein active sites to give up protons. pKa can be measured using NMR by tracing chemicalshifts of some special atoms, which is however expensive and… read more here.
Keywords: solver; boundary mib; interface boundary; mib method ... See more keywords