CHBC Faculty Publications

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Author: Zhang, Shuming

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TitlePublication NamePub. TypeYear
A reliable and efficient first principles-based method for predicting pKa values. 4. organic basesJournal of Computational ChemistryJournal Article2012
A reliable and efficient first principles-based method for predicting pKa values. III. Adding explicit water molecules: Can the theoretical slope be reproduced and pKa values predicted more accurately?Journal of Computational ChemistryJournal Article2012
A Reliable and Efficient First Principles-Based Method for Predicting pK(a) Values. 1. MethodologyJournal of Physical Chemistry AJournal Article2010
A Reliable and Efficient First Principles-Based Method for Predicting pK(a) Values. 2. Organic AcidsJournal of Physical Chemistry AJournal Article2010
Predicting the acid dissociation constants for drug-like moleculesAbstracts of Papers of the American Chemical SocietyAbstract2008
Prediction of pKa values for amino acids and peptidesAbstracts of Papers of the American Chemical SocietyAbstract2007
A fast and reliable method for predicting pKa valuesAbstracts of Papers of the American Chemical SocietyAbstract2006
Roles of the catalytic domain and two cellulose binding domains of Thermomonospora fusca E4 in cellulose hydrolysisJournal of BacteriologyJournal Article1998