Predicting deamidation and isomerization sites in therapeutic antibodies using structure-based in silico approaches by David Hoffmann, Joschka Bauer, Markus Kossner, Andrew Henry, Anne R. Karow-Zwick, Giuseppe Licari

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Computational Chemistry Study of pH-Responsive Fluorescent Probes and Development of Supporting Software by Ximeng Zhu, Yongchun Wei, Xiaogang Liu

“…This study employs quantum chemical computational methods to predict the spectroscopic properties of fluorescent probes 2,6-bis(2-benzimidazolyl)pyridine (BBP) and (<i>E</i>)-3-(2-(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)vinyl)-9-(2-(2-methoxyethoxy)ethyl)-9<i>H</i>-carbazole (BIMC). …”
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