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H++: a server for estimating pK(a)s and adding missing hydrogens to macromolecules

The structure and function of macromolecules depend critically on the ionization (protonation) states of their acidic and basic groups. A number of existing practical methods predict protonation equilibrium pK constants of macromolecules based upon their atomic resolution Protein Data Bank (PDB) str...

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Detalles Bibliográficos
Autores principales: Gordon, John C., Myers, Jonathan B., Folta, Timothy, Shoja, Valia, Heath, Lenwood S., Onufriev, Alexey
Formato: Texto
Lenguaje:English
Publicado: Oxford University Press 2005
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1160225/
https://www.ncbi.nlm.nih.gov/pubmed/15980491
http://dx.doi.org/10.1093/nar/gki464