Conformational dependence of serotonin theoretical pK<inf>a</inf>prediction

Conformational dependence of serotonin theoretical pK<inf>a</inf>prediction

In the present work we used quantum mechanics calculations to predict the two pKa's of 5-hydrotryptamine (5-HT). Proton dissociation reaction succeeded to predict the experimental pKa1corresponding to ionization of the protonated amine group but failed for pKa2corresponding to ionization of the...

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Bibliographic Details
Main Authors: Jaturong Pratuangdejkul, Wichit Nosoongnoen, Georges Alexandre Guérin, Sylvan Loric, Marc Conti, Jean Marie Launay, Philippe Manivet
Other Authors: E.A. 3621
Format: Article
Published: 2018
Subjects:
Chemistry
Physics and Astronomy
Online Access:https://repository.li.mahidol.ac.th/handle/123456789/23174
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Institution: Mahidol University

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https://repository.li.mahidol.ac.th/handle/123456789/23174

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