Computational estimation of the acidities of purines and indoles

Purines and related compounds are central ingredients in the genetic code and form the structural framework for many drugs and other bioactive compounds. A key feature of these compounds is their acidity, as expressed by their p K a values. For a proper understanding of the behaviors of these compou...

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Veröffentlicht in:Journal of molecular modeling 2019-01, Vol.25 (1), p.12-7, Article 12
Hauptverfasser: Geremia, Kara L., Seybold, Paul G.
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Sprache:eng
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