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Assessment of two theoretical methods to estimate potentiometrictitration curves of peptides: comparison with experiment

We compared the ability of two theoretical methods of pH-dependent conformational calculations to reproduce experimental potentiometric-titration curves of two models of peptides: Ac-K(5)-NHMe in 95% methanol (MeOH)/5% water mixture and Ac-XX(A)(7)OO-NH(2) (XAO) (where X is diaminobutyric acid, A is...

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Main Authors: Makowska, Joanna, Bagiñska, Katarzyna, Makowski, Mariusz, Jagielska, Anna, Liwo, Adam, Kasprzykowski, Franciszek, Chmurzyñski, Lech, Scheraga, Harold A.
Format: Artigo
Jezik:Inglês
Izdano: 2006
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC2535830/
https://ncbi.nlm.nih.gov/pubmed/16509748
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp054814j
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