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CALCULATION OF pK(a) IN PROTEINS WITH THE MICROENVIRONMENT MODULATED-SCREENED COULOMB POTENTIAL (MM-SCP)

The MM-SCP has been applied to predict pK(a) values of titratable residues in wild type and mutants of staphylococcal nuclease (SNase). The calculations were based on crystal structures made available by the Garcia-Moreno Laboratory. In the mutants, mostly deeply buried hydrophobic residues were rep...

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Dettagli Bibliografici
Autori principali: Shan, Jufang, Mehler, Ernest L.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2011
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3310208/
https://ncbi.nlm.nih.gov/pubmed/21748803
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.23098
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