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On the development of protein pKa calculation algorithms

Protein pKa calculation methods are developed partly to provide fast non-experimental estimates of the ionization constants of protein side chains. However, the most significant reason for developing such methods is that a good pK(a) calculation method is presumed to provide an accurate physical mod...

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Bibliographic Details
Main Authors: Carstensen, Tommy, Farrell, Damien, Huang, Yong, Baker, Nathan A., Nielsen, Jens Erik
Format: Artigo
Language:Inglês
Published: 2011
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC3193850/
https://ncbi.nlm.nih.gov/pubmed/21744393
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.23091
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